CAS No.913835-37-7,4-(3-CHLORO-4-METHYLPHENYLCARBAMOYL)PHENYLBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	913835-37-7
Name:	4-(3-CHLORO-4-METHYLPHENYLCARBAMOYL)PHENYLBORONIC ACID

Formula:	C₁₄H₁₃BClNO₃
Molecular Weight:	289.52192
Synonyms:	Boronic acid,[4-[[(3-chloro-4-methylphenyl)amino]carbonyl]phenyl]- (9CI);
Density:	1.34 g/cm³
Melting Point:	217-219°C
Hazard Symbols:	Xi
PSA:	69.56000
LogP:	1.65350

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Specification

The Boronic acid,B-[4-[[(3-chloro-4-methylphenyl)amino]carbonyl]phenyl]-, with CAS registry number 913835-37-7, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of [4-[(3-chloro-4-methyl-phenyl)carbamoyl]phenyl]boronic acid. And the chemical formula of this chemical is C₁₄H₁₃BClNO₃.

Physical properties of Boronic acid,B-[4-[[(3-chloro-4-methylphenyl)amino]carbonyl]phenyl]-: (1)ACD/LogP: 3.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.59; (4)ACD/LogD (pH 7.4): 3.51; (5)#H bond acceptors: 4; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 69.56 Å²; (9)Index of Refraction: 1.623; (10)Molar Refractivity: 75.84 cm³; (11)Molar Volume: 214.9 cm³; (12)Polarizability: 30.06×10^-24cm³; (13)Surface Tension: 57.7 dyne/cm; (14)Density: 1.34 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)C(=O)Nc2ccc(c(c2)Cl)C)(O)O
(2)InChI: InChI=1/C14H13BClNO3/c1-9-2-7-12(8-13(9)16)17-14(18)10-3-5-11(6-4-10)15(19)20/h2-8,19-20H,1H3,(H,17,18)
(3)InChIKey: IZMAVYDCXUROFV-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C14H13BClNO3/c1-9-2-7-12(8-13(9)16)17-14(18)10-3-5-11(6-4-10)15(19)20/h2-8,19-20H,1H3,(H,17,18)
(5)Std. InChIKey: IZMAVYDCXUROFV-UHFFFAOYSA-N