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CAS No.: | 874288-31-0 |
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Name: | 3-[(4-Chlorophenyl)carbamoyl]benzeneboronic acid |
Molecular Structure: | |
Formula: | C13H11BClNO3 |
Molecular Weight: | 275.49534 |
Synonyms: | Boronicacid, [3-[[(4-chlorophenyl)amino]carbonyl]phenyl]- (9CI); |
Density: | 1.38 g/cm3 |
Hazard Symbols: | Xi |
PSA: | 69.56000 |
LogP: | 1.34510 |
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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