(4-Boc-aminophenyl)boronic acid

• CAS: 380430-49-9
• Catalog Number: ACM380430499
• Category: Boro-Amino Acids
• Molecular Weight: 237.06g/mol
• Molecular Formula: C11H16BNO4
• Synonyms: 4-AMINOBENZENEBORONIC ACID, BOC PROTECTED;(4-BOC-AMINOPHENYL)BORONIC ACID;4-(N-BOC-AMINO)PHENYLBORONIC ACID;4-(TERT-BUTOXYCARBONYLAMINO)PHENYLBORONIC ACID;4-(T-BUTOXYCARBONYLAMINO)PHENYLBORONIC ACID;[4-(t-Butoxycarbonylamino)phenyl]boronic acid, CAS # non
• IUPAC Name: [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid
• Canonical SMILES: B(C1=CC=C(C=C1)NC(=O)OC(C)(C)C)(O)O
• InChI: InChI=1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-6-4-8(5-7-9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)
• InChI Key: UBVOLHQIEQVXGM-UHFFFAOYSA-N
• Complexity: 257
• Covalently-Bonded Unit Count: 1
• Exact Mass: 237.117238g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 3
• Heavy Atom Count: 17
• Monoisotopic Mass: 237.117238g/mol
• Rotatable Bond Count: 4

Custom Q&A

What is the PubChem CID of (4-Boc-aminophenyl)boronic acid?

The PubChem CID of (4-Boc-aminophenyl)boronic acid is 3613184.

What is the molecular formula of (4-Boc-aminophenyl)boronic acid?

The molecular formula of (4-Boc-aminophenyl)boronic acid is C11H16BNO4.

What are the synonyms of (4-Boc-aminophenyl)boronic acid?

The synonyms of (4-Boc-aminophenyl)boronic acid are 380430-49-9, 4-BOC-aminophenylboronic acid, 4-(N-Boc-amino)phenylboronic acid, and (4-((tert-Butoxycarbonyl)amino)phenyl)boronic acid.

What is the molecular weight of (4-Boc-aminophenyl)boronic acid?

The molecular weight of (4-Boc-aminophenyl)boronic acid is 237.06 g/mol.

What is the IUPAC name of (4-Boc-aminophenyl)boronic acid?

The IUPAC name of (4-Boc-aminophenyl)boronic acid is [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid.

What is the InChI of (4-Boc-aminophenyl)boronic acid?

The InChI of (4-Boc-aminophenyl)boronic acid is InChI=1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-6-4-8(5-7-9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14).

What is the InChIKey of (4-Boc-aminophenyl)boronic acid?

The InChIKey of (4-Boc-aminophenyl)boronic acid is UBVOLHQIEQVXGM-UHFFFAOYSA-N.

What is the canonical SMILES of (4-Boc-aminophenyl)boronic acid?

The canonical SMILES of (4-Boc-aminophenyl)boronic acid is B(C1=CC=C(C=C1)NC(=O)OC(C)(C)C)(O)O.

What is the CAS number of (4-Boc-aminophenyl)boronic acid?

The CAS number of (4-Boc-aminophenyl)boronic acid is 380430-49-9.

What is the molecular weight, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, undefined bond stereocenter count, covalently-bonded unit count, and whether the compound is canonicalized of (4-Boc-aminophenyl)boronic acid?

The molecular weight of (4-Boc-aminophenyl)boronic acid is 237.06 g/mol.
The hydrogen bond donor count of (4-Boc-aminophenyl)boronic acid is 3.
The hydrogen bond acceptor count of (4-Boc-aminophenyl)boronic acid is 4.
The rotatable bond count of (4-Boc-aminophenyl)boronic acid is 4.
The exact mass of (4-Boc-aminophenyl)boronic acid is 237.1172382 g/mol.
The monoisotopic mass of (4-Boc-aminophenyl)boronic acid is 237.1172382 g/mol.
The topological polar surface area of (4-Boc-aminophenyl)boronic acid is 78.8Ų.
The heavy atom count of (4-Boc-aminophenyl)boronic acid is 17.
The formal charge of (4-Boc-aminophenyl)boronic acid is 0.
The complexity of (4-Boc-aminophenyl)boronic acid is 257.
The isotope atom count of (4-Boc-aminophenyl)boronic acid is 0.
The defined atom stereocenter count of (4-Boc-aminophenyl)boronic acid is 0.
The undefined atom stereocenter count of (4-Boc-aminophenyl)boronic acid is 0.
The defined bond stereocenter count of (4-Boc-aminophenyl)boronic acid is 0.
The undefined bond stereocenter count of (4-Boc-aminophenyl)boronic acid is 0.
The covalently-bonded unit count of (4-Boc-aminophenyl)boronic acid is 1.
The compound is canonicalized.