4-Pentylbenzeneboronic acid

• CAS: 121219-12-3
• Catalog Number: ACM121219123
• Category: Boronic Acids
• Molecular Weight: 192.06g/mol
• Molecular Formula: C11H17BO2
• Synonyms: P-PENTYLPHENYLBORONIC ACID;4-N-PENTYLBENZENEBORONIC ACID;4-N-PENTYLPHENYLBORONIC ACID;4-PENTYLBENZENEBORONIC ACID;AKOS BRN-0130;4-n-Amylbenzeneboronic acid~4-n-Pentylphenylboronic acid;4-N-Pentylphenylboronic;4-n-amylbenzeneboronic acid
• IUPAC Name: (4-pentylphenyl)boronic acid
• Canonical SMILES: B(C1=CC=C(C=C1)CCCCC)(O)O
• InChI: InChI=1S/C11H17BO2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9,13-14H,2-5H2,1H3
• InChI Key: UZRMPSOGFATLJE-UHFFFAOYSA-N
• Complexity: 142
• Covalently-Bonded Unit Count: 1
• Exact Mass: 192.13216g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 14
• Monoisotopic Mass: 192.13216g/mol
• Rotatable Bond Count: 5

Custom Q&A

What is the molecular formula of 4-Pentylbenzeneboronic acid?

The molecular formula of 4-Pentylbenzeneboronic acid is C11H17BO2.

What is the molecular weight of 4-Pentylbenzeneboronic acid?

The molecular weight of 4-Pentylbenzeneboronic acid is 192.06 g/mol.

What is the IUPAC name of 4-Pentylbenzeneboronic acid?

The IUPAC name of 4-Pentylbenzeneboronic acid is (4-pentylphenyl)boronic acid.

What is the InChI of 4-Pentylbenzeneboronic acid?

The InChI of 4-Pentylbenzeneboronic acid is InChI=1S/C11H17BO2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9,13-14H,2-5H2,1H3.

What is the InChIKey of 4-Pentylbenzeneboronic acid?

The InChIKey of 4-Pentylbenzeneboronic acid is UZRMPSOGFATLJE-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Pentylbenzeneboronic acid?

The canonical SMILES of 4-Pentylbenzeneboronic acid is B(C1=CC=C(C=C1)CCCCC)(O)O.

What is the CAS number of 4-Pentylbenzeneboronic acid?

The CAS number of 4-Pentylbenzeneboronic acid is 121219-12-3.

What is the European Community (EC) number of 4-Pentylbenzeneboronic acid?

The European Community (EC) number of 4-Pentylbenzeneboronic acid is 681-163-0.

What is the ChEMBL ID of 4-Pentylbenzeneboronic acid?

The ChEMBL ID of 4-Pentylbenzeneboronic acid is CHEMBL1952296.

Is 4-Pentylbenzeneboronic acid a canonicalized compound?

Yes, 4-Pentylbenzeneboronic acid is a canonicalized compound.