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Boronic acid,B-[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl]-

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Name

Boronic acid,B-[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl]-

EINECS N/A
CAS No. 913835-39-9 Density 1.34 g/cm3
PSA 69.56000 LogP 1.65350
Solubility N/A Melting Point 234-236°C
Formula C14H13BClNO3 Boiling Point N/A
Molecular Weight 289.52192 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 913835-39-9 (4-(2-CHLORO-4-METHYLPHENYLCARBAMOYL)PHENYLBORONIC ACID) Hazard Symbols IrritantXi
Synonyms

Boronic acid,[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl]- (9CI);

 

Boronic acid,B-[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl]- Specification

The Boronic acid,B-[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl]-, with CAS registry number 913835-39-9, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of [4-[(2-chloro-4-methyl-phenyl)carbamoyl]phenyl]boronic acid. And the chemical formula of this chemical is C14H13BClNO3.

Physical properties of Boronic acid,B-[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl]-: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.96; (4)ACD/LogD (pH 7.4): 2.88; (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(cc2Cl)C)(O)O
(2)InChI: InChI=1/C14H13BClNO3/c1-9-2-7-13(12(16)8-9)17-14(18)10-3-5-11(6-4-10)15(19)20/h2-8,19-20H,1H3,(H,17,18)
(3)InChIKey: OLWULFVOADOJBR-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C14H13BClNO3/c1-9-2-7-13(12(16)8-9)17-14(18)10-3-5-11(6-4-10)15(19)20/h2-8,19-20H,1H3,(H,17,18)
(5)Std. InChIKey: OLWULFVOADOJBR-UHFFFAOYSA-N

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