4-Chloro-3-(N-methylcarbamoyl)phenylboronic acid

• Catalog Number: ACM871332659
• Product Name: 4-Chloro-3-(N-methylcarbamoyl)phenylboronic acid
• CAS: 871332-65-9
• Category: Boronic Acids
• Synonyms: 4-CHLORO-3-(N-METHYLCARBAMOYL)PHENYLBORONIC ACID, 871332-65-9, ACMC-209qgv, AC1Q40JL, CTK5F7936, MolPort-002-461-709, ANW-38573, AKOS015849981, AB30788, AG-H-51500, AK-36630, KB-37839, N-METHYL 2-CHLORO-5-BORONOBENZAMIDE, N-METHYL 5-BORONO-2-CHLOROBENZAMIDE, 3-(Aminocarbonyl)-5-fluorophenylboronic acid, FT-0649094, X1415, X1416, B-4250, 4-Chloro-3-(N-methyl carbamoyl)phenylboronic acid
• IUPAC Name: [4-chloro-3-(methylcarbamoyl)phenyl]boronic acid
• Molecular Weight: 213.43
• Molecular Formula: C8H9 B Cl N O3
• Canonical SMILES: B(C1=CC(=C(C=C1)Cl)C(=O)NC)(O)O
• InChI Key: SYZZWFMATUWETK-UHFFFAOYSA-N
• Density: 1.37g/cm³
• Exact Mass: 213.03600
• H-Bond Acceptor: 3
• H-Bond Donor: 3

Custom Q&A

What is the IUPAC name of the compound?

[4-chloro-3-(methylcarbamoyl)phenyl]boronic acid

What is the InChI of the compound?

InChI=1S/C8H9BClNO3/c1-11-8(12)6-4-5(9(13)14)2-3-7(6)10/h2-4,13-14H,1H3,(H,11,12)

What is the InChIKey of the compound?

SYZZWFMATUWETK-UHFFFAOYSA-N

What is the canonical SMILES of the compound?

B(C1=CC(=C(C=C1)Cl)C(=O)NC)(O)O

What is the molecular weight of the compound?

213.43 g/mol

How many hydrogen bond donor counts does the compound have?

3

How many hydrogen bond acceptor counts does the compound have?

3

How many rotatable bond counts does the compound have?

2

What is the topological polar surface area of the compound?

69.6Ų

How many heavy atoms does the compound have?

14