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292621-45-5

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Basic Information
CAS No.: 292621-45-5
Name: 4-BROMO-2-FLUOROBENZAMIDE
Article Data: 11
Molecular Structure:
Molecular Structure of 292621-45-5 (4-BROMO-2-FLUOROBENZAMIDE)
Formula: C7H5BrFNO
Molecular Weight: 218.025
Synonyms: 4-Bromo-2-fluorobenzamide;
Density: 1.696 g/cm3
Melting Point: 151-153℃
Boiling Point: 261 °C at 760 mmHg
Flash Point: 111.6 °C
Hazard Symbols: Xi
PSA: 44.08000
LogP: 2.57130
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Specification

The Benzamide, 4-bromo-2-fluoro- has the CAS registry number 292621-45-5. This chemical's molecular formula is C7H5BrFNO and molecular weight is 218.02. What's more, its systematic name is 4-bromo-2-fluorobenzamide. 

Physical properties of Benzamide, 4-bromo-2-fluoro- are: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.65; (4)ACD/BCF (pH 5.5): 10.56; (5)ACD/KOC (pH 5.5): 188.09; (6)#H bond acceptors: 2; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 20.31 Å2; (10)Index of Refraction: 1.581; (11)Molar Refractivity: 42.86 cm3; (12)Molar Volume: 128.5 cm3; (13)Polarizability: 16.99×10-24cm3; (14)Surface Tension: 48.5 dyne/cm; (15)Density: 1.696 g/cm3; (16)Flash Point: 111.6 °C; (17)Enthalpy of Vaporization: 49.87 kJ/mol; (18)Boiling Point: 261 °C at 760 mmHg; (19)Vapour Pressure: 0.0119 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(F)cc(Br)cc1)N
(2)InChI: InChI=1S/C7H5BrFNO/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H2,10,11)
(3)InChIKey: MJDRFCPNHLHNON-UHFFFAOYSA-N