Basic Information | Post buying leads | Suppliers |
Name |
5-Bromo-3-carboxy-2-fluorophenylboronic acid |
EINECS | N/A |
CAS No. | 957120-63-7 | Density | 1.936 g/cm3 |
PSA | 77.76000 | LogP | -0.03380 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H5BBrFO4 | Boiling Point | 463.192 °C at 760 mmHg |
Molecular Weight | 262.83 | Flash Point | 233.93 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Borono-5-bromo-2-fluorobenzoic acid; |
The 5-Bromo-3-carboxy-2-fluorophenylboronic acid, with the CAS registry number 957120-63-7, is also known as Benzoic acid, 3-borono-5-bromo-2-fluoro-. It belongs to the product categories of Blocks; Boronic Acids; Bromides; Fluoro Compounds. This chemical's molecular formula is C7H5BBrFO4 and molecular weight is 262.83. What's more, its IUPAC name is called 3-Borono-5-bromo-2-fluorobenzoic acid.
Physical properties about 5-Bromo-3-carboxy-2-fluorophenylboronic acid are: (1)ACD/LogP: 1.978; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.89; (4)ACD/LogD (pH 7.4): -1.46; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 77.76 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 47.398 cm3; (15)Molar Volume: 135.738 cm3; (16)Polarizability: 18.79×10-24cm3; (17)Surface Tension: 68.555 dyne/cm; (18)Density: 1.936 g/cm3; (19)Flash Point: 233.93 °C; (20)Enthalpy of Vaporization: 76.322 kJ/mol; (21)Boiling Point: 463.192 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: B(c1cc(cc(c1F)C(=O)O)Br)(O)O
(2) InChI: InChI=1S/C7H5BBrFO4/c9-3-1-4(7(11)12)6(10)5(2-3)8(13)14/h1-2,13-14H,(H,11,12)
(3) InChIKey: RFODFEHCGMALLT-UHFFFAOYSA-N