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Name |
Boronicacid, B-[3-[[(4-bromophenyl)amino]carbonyl]phenyl]- |
EINECS | N/A |
CAS No. | 874288-28-5 | Density | 1.59 g/cm3 |
PSA | 69.56000 | LogP | 1.45420 |
Solubility | N/A | Melting Point |
N/A |
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 |
3-[(4-Bromophenyl)carbamoyl]benzeneboronic acid;3-Borono-N-(4-bromophenyl)benzamide;3-[(4-Bromophenyl)carbamoyl]benzeneboronic acid 95%;3-(4-Bromophenylcarbamoyl)phenylboronic acid |
The Boronicacid, B-[3-[[(4-bromophenyl)amino]carbonyl]phenyl]- is an organic compound with the formula C13H11BBrNO3. The systematic name of this chemical is [3-[(4-bromophenyl)carbamoyl]phenyl]boronic acid. With the CAS registry number 874288-28-5, it is also named as 3-Borono-N-(4-bromophenyl)benzamide. The product's categories are Blocks; BoronicAcids.
Physical properties about Boronicacid, B-[3-[[(4-bromophenyl)amino]carbonyl]phenyl]- are: (1)ACD/LogP: 3.16; (2)ACD/LogD (pH 5.5): 3.16; (3)ACD/LogD (pH 7.4): 3.04; (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(c1cccc(c1)C(=O)Nc2ccc(cc2)Br)(O)O
(2)InChI: InChI=1/C13H11BBrNO3/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: JTIUHKZUVGVPGO-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C13H11BBrNO3/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: JTIUHKZUVGVPGO-UHFFFAOYSA-N