CAS
913835-37-7 Purity
98%
913835-37-7 Purity
98%
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Boronicacid,b-[4-[[(2,5-dimethylphenyl)amino]carbonyl]phenyl]-
CAS
913835-40-2
Catalog Number
ACM913835402
Category
Other Products
Molecular Weight
269.10344
Molecular Formula
C15H16BNO3
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Specification
Synonyms
913835-40-2, N-(2,5-Dimethylphenyl) 4-boronobenzamide, ACMC-209r9a, SureCN2559603, CTK3I6400, MolPort-001-767-793, ANW-39596, OR3794, AKOS015833643, AG-H-74911, AK-62108, KB-55278, N-(2,5-Dimethylphenyl)4-boronobenzamide, 4-Borono-N-(2,5-dimethylphenyl)benzamide, N-(2,5-Dimethylphenyl) 4-boronobenzamide,, X1451, B-5602, 4-(2,5-Dimethylphenylcarbamoyl)phenylboronic acid, 4-[(2,5-dimethylphenyl)carbamoyl]phenylboronic acid, 4-[(2,5-Dimethylphenyl)carbamoyl]benzeneboronic acid
IUPAC Name
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl]boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C)C)(O)O
InChI Key
HCANATQAPBZHDY-UHFFFAOYSA-N
Density
1.22g/cm³
Exact Mass
269.12200
Hazard Statements
Xi
H-Bond Acceptor
3
H-Bond Donor
3
What is the molecular formula of Boronic acid, b-[4-[[(2,5-dimethylphenyl)amino]carbonyl]phenyl]?
The molecular formula is C15H16BNO3.
When was this compound created and modified?
It was created on 2009-07-21 and last modified on 2023-12-30.
What is the IUPAC Name of Boronic acid, b-[4-[[(2,5-dimethylphenyl)amino]carbonyl]phenyl]?
The IUPAC Name is [4-[(2,5-dimethylphenyl)carbamoyl]phenyl]boronic acid.
What is the InChIKey of this compound?
The InChIKey is HCANATQAPBZHDY-UHFFFAOYSA-N.
What is the Canonical SMILES of Boronic acid, b-[4-[[(2,5-dimethylphenyl)amino]carbonyl]phenyl]?
The Canonical SMILES is B(C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C)C)(O)O.
What is the CAS number of this compound?
The CAS number is 913835-40-2.
How many hydrogen bond donor counts does Boronic acid, b-[4-[[(2,5-dimethylphenyl)amino]carbonyl]phenyl] have?
It has 3 hydrogen bond donor counts.
What is the exact mass of this compound?
The exact mass is 269.1223235 g/mol.
How many heavy atom counts does Boronic acid, b-[4-[[(2,5-dimethylphenyl)amino]carbonyl]phenyl] have?
It has 20 heavy atom counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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