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CAS No.: | 874287-99-7 |
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Name: | 4-(4-BROMOPHENYLCARBAMOYL)PHENYLBORONIC ACID |
Molecular Structure: | |
Formula: | C13H11BBrNO3 |
Molecular Weight: | 319.95 |
Synonyms: | Boronicacid, [4-[[(4-bromophenyl)amino]carbonyl]phenyl]- (9CI);[4-[(4-Bromophenyl)carbamoyl]phenyl]boronic acid; |
Density: | 1.59 g/cm3 |
Melting Point: | 268-275℃ |
Hazard Symbols: | Xi |
PSA: | 69.56000 |
LogP: | 1.45420 |
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The Boronic acid,B-[4-[[(4-bromophenyl)amino]carbonyl]phenyl]- is an organic compound with the formula C13H11BBrNO3. The systematic name of this chemical is [4-[(4-bromophenyl)carbamoyl]phenyl]boronic acid. With the CAS registry number 874287-99-7, it is also named as N-4-Bromophenyl 4-boronobenzamide. The product's categories are Blocks; BoronicAcids.
Physical properties about Boronic acid,B-[4-[[(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): 3.08; (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)Nc2ccc(cc2)Br)(O)O
(2)InChI: InChI=1/C13H11BBrNO3/c15-11-5-7-12(8-6-11)16-13(17)9-1-3-10(4-2-9)14(18)19/h1-8,18-19H,(H,16,17)
(3)InChIKey: FBTLHSKBTDKVGQ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C13H11BBrNO3/c15-11-5-7-12(8-6-11)16-13(17)9-1-3-10(4-2-9)14(18)19/h1-8,18-19H,(H,16,17)
(5)Std. InChIKey: FBTLHSKBTDKVGQ-UHFFFAOYSA-N