CAS
913835-30-0 Purity
98%
913835-30-0 Purity
98%
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Boronic acid,b-[4-[[(3-chloro-4-methylphenyl)amino]carbonyl]phenyl]-
CAS
913835-37-7
Catalog Number
ACM913835377
Category
Other Products
Molecular Weight
289.52192
Molecular Formula
C14H13BClNO3
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Specification
Synonyms
913835-37-7, N-(3-Chloro-4-methylphenyl) 4-boronobenzamide, ACMC-209r97, CTK5G9446, MolPort-001-767-777, ANW-39593, OR3786, AKOS015833645, AG-H-74908, AK-94517, KB-55682, N-(3-Chloro-4-methylphenyl)4-boronobenzamide, B-5599, N-(3-Chloro-4-methylphenyl) 4-boronobenzamide,, I01-10665, 4-[(3-chloro-4-methylphenyl)carbamoyl]phenylboronic acid, (4-((3-Chloro-4-methylphenyl)carbamoyl)phenyl)boronic acid, 4-[(3-Chloro-4-methylphenyl)carbamoyl]benzeneboronic acid
IUPAC Name
[4-[(3-chloro-4-methylphenyl)carbamoyl]phenyl]boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)Cl)(O)O
InChI Key
IZMAVYDCXUROFV-UHFFFAOYSA-N
Melting Point
217-219ºC
Density
1.34g/cm³
Exact Mass
289.06800
Hazard Statements
Xi
H-Bond Acceptor
3
H-Bond Donor
3
What is the molecular formula of boronic acid mentioned in the reference?
The molecular formula is C14H13BClNO3.
What are the synonyms for the boronic acid compound?
The synonyms include 913835-37-7, (4-((3-Chloro-4-methylphenyl)carbamoyl)phenyl)boronic acid, and N-(3-Chloro-4-methylphenyl) 4-boronobenzamide.
When was the boronic acid compound created and last modified?
The compound was created on July 21, 2009, and last modified on December 30, 2023.
What is the IUPAC name of the boronic acid compound?
The IUPAC name is [4-[(3-chloro-4-methylphenyl)carbamoyl]phenyl]boronic acid.
What is the InChIKey of the boronic acid compound?
The InChIKey is IZMAVYDCXUROFV-UHFFFAOYSA-N.
How was the molecular weight of the boronic acid compound computed?
It was computed by PubChem 2.2.
What is the CAS number for the boronic acid compound?
The CAS number is 913835-37-7.
How many hydrogen bond donor counts does the boronic acid compound have?
It has 3 hydrogen bond donor counts.
What is the topological polar surface area of the boronic acid compound?
The topological polar surface area is 69.6 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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