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14632-85-0

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Basic Information
CAS No.: 14632-85-0
Name: 2-broMo-4-fluorobenzoic acid
Molecular Structure:
Molecular Structure of 14632-85-0 (2-broMo-4-fluorobenzoic acid)
Formula: C7H4BrFO2
Molecular Weight: 219.0079
Synonyms: 2-Bromo-4-fluorobenzoic acid;
Density: 1.789 g/cm3
Boiling Point: 294.3 °C at 760 mmHg
Flash Point: 131.8 °C
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Specification

The Benzoic acid, 2-bromo-4-fluoro-, with the CAS registry number 14632-85-0, is also known as 2-Bromo-4-fluorobenzoicacid. This chemical's molecular formula is C7H4BrFO2 and molecular weight is 219.0079. What's more, its systematic name is 2-Bromo-4-fluorobenzoic acid.

Physical properties about Benzoic acid, 2-bromo-4-fluoro- are: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.26; (4)ACD/LogD (pH 7.4): -0.82; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.15; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 40.86 cm3; (15)Molar Volume: 122.3 cm3; (16)Polarizability: 16.2×10-24 cm3; (17)Surface Tension: 51 dyne/cm; (18)Density: 1.789 g/cm3; (19)Flash Point: 131.8 °C; (20)Enthalpy of Vaporization: 56.38 kJ/mol; (21)Boiling Point: 294.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000745 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ccc(F)cc1Br
(2) InChI: InChI=1/C7H4BrFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)
(3) InChIKey: RRKPMLZRLKTDQV-UHFFFAOYAJ