Boronic acid,B-[3-[[(4-chlorophenyl)amino]carbonyl]phenyl]- supplier

Name
3-[(4-Chlorophenyl)carbamoyl]benzeneboronic acid
EINECS
CAS No. 874288-31-0
Density 1.38 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₁BClNO₃
Boiling Point
Molecular Weight 275.49534
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [3-[[(4-chlorophenyl)amino]carbonyl]phenyl]- (9CI);
PSA 69.56000
LogP 1.34510

Boronic acid,B-[3-[[(4-chlorophenyl)amino]carbonyl]phenyl]- Specification

The Boronic acid,B-[3-[[(4-chlorophenyl)amino]carbonyl]phenyl]- is an organic compound with the formula C₁₃H₁₁BClNO₃. The systematic name of this chemical is [3-[(4-chlorophenyl)carbamoyl]phenyl]boronic acid. With the CAS registry number 874288-31-0, it is also named as 3-Borono-N-(4-chlorophenyl)benzamide. The product's categories are Blocks; BoronicAcids.

Physical properties about Boronic acid,B-[3-[[(4-chlorophenyl)amino]carbonyl]phenyl]- are: (1)ACD/LogP: 2.78; (2)ACD/LogD (pH 5.5): 2.78; (3)ACD/LogD (pH 7.4): 2.66; (4)#H bond acceptors: 4; (5)#H bond donors: 3; (6)#Freely Rotating Bonds: 5; (7)Polar Surface Area: 69.56 Å²; (8)Index of Refraction: 1.634; (9)Molar Refractivity: 71.22 cm³; (10)Molar Volume: 199.1 cm³; (11)Polarizability: 28.23×10^-24cm³; (12)Surface Tension: 60 dyne/cm; (13)Density: 1.38 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cccc(c1)C(=O)Nc2ccc(cc2)Cl)(O)O
(2)InChI: InChI=1/C13H11BClNO3/c15-11-4-6-12(7-5-11)16-13(17)9-2-1-3-10(8-9)14(18)19/h1-8,18-19H,(H,16,17)
(3)InChIKey: KBHSCCBYOWTUJD-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C13H11BClNO3/c15-11-4-6-12(7-5-11)16-13(17)9-2-1-3-10(8-9)14(18)19/h1-8,18-19H,(H,16,17)
(5)Std. InChIKey: KBHSCCBYOWTUJD-UHFFFAOYSA-N

Product Name

3-[(4-Chlorophenyl)carbamoyl]benzeneboronic acid

Boronic acid,B-[3-[[(4-chlorophenyl)amino]carbonyl]phenyl]- Specification

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