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CAS No.: | 1020718-20-0 |
---|---|
Name: | 2-BROMO-6-FLUOROBENZOYL CHLORIDE |
Article Data: | 13 |
Molecular Structure: | |
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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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