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Name |
Boronic acid,B-[4-[[(2-bromophenyl)amino]carbonyl]phenyl]- |
EINECS | N/A |
CAS No. | 874288-01-4 | Density | 1.59 g/cm3 |
PSA | 69.56000 | LogP | 1.45420 |
Solubility | N/A | Melting Point |
233-235℃ |
Formula | C13H11BBrNO3 | Boiling Point | N/A |
Molecular Weight | 319.94634 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Boronicacid, [4-[[(2-bromophenyl)amino]carbonyl]phenyl]- (9CI); |
The Boronic acid,B-[4-[[(2-bromophenyl)amino]carbonyl]phenyl]- is an organic compound with the formula C13H11BBrNO3. The systematic name of this chemical is [4-[(2-bromophenyl)carbamoyl]phenyl]boronic acid. With the CAS registry number 874288-01-4, it is also named as -(2-Bromophenylcarbamoyl)phenylboronic acid. The product's categories are Blocks; BoronicAcids.
Physical properties about Boronic acid,B-[4-[[(2-bromophenyl)amino]carbonyl]phenyl]- are: (1)ACD/LogP: 2.68; (2)ACD/LogD (pH 5.5): 2.67; (3)ACD/LogD (pH 7.4): 2.6; (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: 1.658; (9)Molar Refractivity: 74.11 cm3; (10)Molar Volume: 201 cm3; (11)Polarizability: 29.38×10-24cm3; (12)Surface Tension: 63.8 dyne/cm; (13)Density: 1.59 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)C(=O)Nc2ccccc2Br)(O)O
(2)InChI: InChI=1/C13H11BBrNO3/c15-11-3-1-2-4-12(11)16-13(17)9-5-7-10(8-6-9)14(18)19/h1-8,18-19H,(H,16,17)
(3)InChIKey: COKKVGHDIYNFCQ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C13H11BBrNO3/c15-11-3-1-2-4-12(11)16-13(17)9-5-7-10(8-6-9)14(18)19/h1-8,18-19H,(H,16,17)
(5)Std. InChIKey: COKKVGHDIYNFCQ-UHFFFAOYSA-N