Basic Information | Post buying leads | Suppliers |
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 | Hazard Symbols | Xi | |
Synonyms |
Boronic acid,[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl]- (9CI); |
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