CAS
1451390-98-9 Purity
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1451390-98-9 Purity
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3-(2,4-Dimethylphenylcarbamoyl)phenylboronic acid
CAS
957060-98-9
Catalog Number
ACM957060989-1
Category
Boronic Acids
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What is the molecular formula of the compound?
The molecular formula of the compound is C15H16BNO3.
What are the synonyms of the compound?
The synonyms of the compound are 957060-98-9, 3-Borono-N-(2,4-dimethylphenyl)benzamide, and 3-(2,4-Dimethylphenylcarbamoyl)phenylboronic acid.
What is the molecular weight of the compound?
The molecular weight of the compound is 269.11 g/mol.
When was the compound created?
The compound was created on July 21, 2009.
When was the compound last modified?
The compound was last modified on December 2, 2023.
What is the IUPAC name of the compound?
The IUPAC name of the compound is [3-[(2,4-dimethylphenyl)carbamoyl]phenyl]boronic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C15H16BNO3/c1-10-6-7-14(11(2)8-10)17-15(18)12-4-3-5-13(9-12)16(19)20/h3-9,19-20H,1-2H3,(H,17,18).
What is the InChIKey of the compound?
The InChIKey of the compound is ZVBRLWSDAGYMQQ-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is B(C1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)C)C)(O)O.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count of the compound is 3.
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