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

Name
3-CHLORO-4-(N-BENZYLCARBAMOYL)PHENYLBORONIC ACID
EINECS
CAS No. 850589-42-3
Density 1.34 g/cm³
Solubility
Melting Point 126-128 ºC
Formula C₁₄H₁₃BClNO₃
Boiling Point
Molecular Weight 289.52
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [3-chloro-4-[[(phenylmethyl)amino]carbonyl]phenyl]- (9CI);3-Chloro-4-(N-benzylcarbamoyl)phenylboronic acid;[4-(Benzylcarbamoyl)-3-chloro-phenyl]boronic acid;
PSA 69.56000
LogP 1.34070

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

The Boronic acid,B-[3-chloro-4-[[(phenylmethyl)amino]carbonyl]phenyl]-, with the CAS registry number 850589-42-3, is also known as 3-Chloro-4-(N-benzylcarbamoyl)phenylboronic acid. It belongs to the product categories of Blocks; Boronic Acids; Carboxes. This chemical's molecular formula is C₁₄H₁₃BClNO₃ and molecular weight is 289.52. What's more, its systematic name is [4-(benzylcarbamoyl)-3-chloro-phenyl]boronic acid.

Physical properties of Boronic acid,B-[3-chloro-4-[[(phenylmethyl)amino]carbonyl]phenyl]- are: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.48; (4)ACD/LogD (pH 7.4): 2.03; (5)#H bond acceptors: 4; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 69.56 Å²; (9)Index of Refraction: 1.621; (10)Molar Refractivity: 75.85 cm³; (11)Molar Volume: 215.4 cm³; (12)Polarizability: 30.07×10^-24cm³; (13)Surface Tension: 57.9 dyne/cm; (14)Density: 1.34 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(c(c1)Cl)C(=O)NCc2ccccc2)(O)O
(2)InChI: InChI=1S/C14H13BClNO3/c16-13-8-11(15(19)20)6-7-12(13)14(18)17-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2,(H,17,18)
(3)InChIKey: KPMFJSKLOSUPQR-UHFFFAOYSA-N

Product Name

3-CHLORO-4-(N-BENZYLCARBAMOYL)PHENYLBORONIC ACID

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

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