4-(N-ethylaminocarbonyl)phenylboronic acid

• CAS: 850568-12-6
• Catalog Number: ACM850568126
• Category: Boro-Amino Acids
• Molecular Weight: 193.01
• Molecular Formula: C9H12BNO3
• Synonyms: MolPort-000-139-793, [4-(ethylcarbamoyl)phenyl]boronic Acid, CID3411307, OR10477, 4-(N-Ethylaminocarbonyl)phenylboronic acid, TC-068806, 850568-12-6
• IUPAC Name: [4-(ethylcarbamoyl)phenyl]boronic acid
• Canonical SMILES: B(C1=CC=C(C=C1)C(=O)NCC)(O)O
• InChI Key: DONAYSCOAAAZKS-UHFFFAOYSA-N
• Melting Point: 143-146ºC
• Density: 1.19g/cm³
• Exact Mass: 193.09100
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 3
• Safety Description: 22-36/37/39

Custom Q&A

What is the molecular formula of 4-(N-ethylaminocarbonyl)phenylboronic acid?

The molecular formula is C9H12BNO3.

When was 4-(N-ethylaminocarbonyl)phenylboronic acid created in PubChem?

It was created on September 8, 2005.

What is the IUPAC name of 4-(N-ethylaminocarbonyl)phenylboronic acid?

The IUPAC name is [4-(ethylcarbamoyl)phenyl]boronic acid.

What is the InChI of 4-(N-ethylaminocarbonyl)phenylboronic acid?

The InChI is InChI=1S/C9H12BNO3/c1-2-11-9(12)7-3-5-8(6-4-7)10(13)14/h3-6,13-14H,2H2,1H3,(H,11,12).

How many hydrogen bond donor counts does 4-(N-ethylaminocarbonyl)phenylboronic acid have?

It has 3 hydrogen bond donor counts.

What is the exact mass of 4-(N-ethylaminocarbonyl)phenylboronic acid?

The exact mass is 193.0910234 g/mol.

How many rotatable bond counts does 4-(N-ethylaminocarbonyl)phenylboronic acid have?

It has 3 rotatable bond counts.

What is the topological polar surface area of 4-(N-ethylaminocarbonyl)phenylboronic acid?

The topological polar surface area is 69.6 Ų.

How many defined atom stereocenter counts does 4-(N-ethylaminocarbonyl)phenylboronic acid have?

It has 0 defined atom stereocenter counts.

Is 4-(N-ethylaminocarbonyl)phenylboronic acid a canonicalized compound in PubChem?

Yes, the compound is canonicalized in PubChem.