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1020718-20-0

Basic Information
CAS No.: 1020718-20-0
Name: 2-BROMO-6-FLUOROBENZOYL CHLORIDE
Article Data: 13
Molecular Structure:
Molecular Structure of 1020718-20-0 (2-BROMO-6-FLUOROBENZOYL CHLORIDE)
Formula: C7H3BrClFO
Molecular Weight: 237.456
Synonyms: 2-BROMO-6-FLUOROBENZOYL CHLORIDE
Density: 1.742 g/cm3
Boiling Point: 235.9 °C at 760 mmHg
Flash Point: 96.5 °C
PSA: 17.07000
LogP: 2.96720
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Specification

The 2-Bromo-6-fluorobenzoyl chloride, with the CAS registry number 1020718-20-0, is also known as Benzoyl chloride, 2-bromo-6-fluoro-. This chemical's molecular formula is C7H3BrClFO and molecular weight is 237.4535232. What's more, its systematic name is 2-Bromo-6-fluoro-benzoyl chloride.

Physical properties about 2-Bromo-6-fluorobenzoyl chloride are: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.18; (4)ACD/LogD (pH 7.4): 2.18; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 17.07 Å2; (9)Index of Refraction: 1.561; (10)Molar Refractivity: 44.18 cm3; (11)Molar Volume: 136.2 cm3; (12)Polarizability: 17.51×10-24 cm3; (13)Surface Tension: 42.9 dyne/cm; (14)Density: 1.742 g/cm3; (15)Flash Point: 96.5 °C; (16)Enthalpy of Vaporization: 47.27 kJ/mol; (17)Boiling Point: 235.9 °C at 760 mmHg; (18)Vapour Pressure: 0.0488 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(c(c(c1)Br)C(=O)Cl)F
(2) InChI: InChI=1/C7H3BrClFO/c8-4-2-1-3-5(10)6(4)7(9)11/h1-3H
(3) InChIKey: ZQOQNOOLDFFUDH-UHFFFAOYAX