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2195-44-0

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Basic Information
CAS No.: 2195-44-0
Name: 2-BROMO-N-(4-FLUORO-PHENYL)-ACETAMIDE
Article Data: 42
Molecular Structure:
Molecular Structure of 2195-44-0 (2-BROMO-N-(4-FLUORO-PHENYL)-ACETAMIDE)
Formula: C8H7BrFNO
Molecular Weight: 232.052
Synonyms: Acetanilide,2-bromo-4'-fluoro- (7CI,8CI);Monofluoroaceto-p-bromoanilide;N-(Bromoacetyl)-4-fluoroaniline;
Density: 1.658 g/cm3
Melting Point: 137-138 °C
Boiling Point: 349.5 °C at 760 mmHg
Flash Point: 165.2 °C
PSA: 29.10000
LogP: 2.23210
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    Molecular Formula C8H7BrFNO Molecular Weight 232.05 CAS Registry Number 2195-44-0 Name2-Bromo-N-(4-fluorophenyl)acetamideM…

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Specification

This chemical is called 2-Bromo-N-(4-fluorophenyl)acetamide, and it can also be named as Acetamide, N-(4-fluorophenyl)-2-bromo-. With the molecular formula of C8H7BrFNO, and its molecular weight is 232.05. In addtion, the CAS registry number of this chemical is 2195-44-0.

Other characteristics of the 2-Bromo-N-(4-fluorophenyl)acetamide can be summarised as followings: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 2.17; (5)ACD/BCF (pH 5.5): 26.13; (6)ACD/BCF (pH 7.4): 26.13; (7)ACD/KOC (pH 5.5): 359.73; (8)ACD/KOC (pH 7.4): 359.71; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 48.25 cm3; (15)Molar Volume: 139.9 cm3; (16)Polarizability: 19.12×10-24cm3; (17)Surface Tension: 49 dyne/cm; (18)Density: 1.658 g/cm3; (19)Flash Point: 165.2 °C; (20)Enthalpy of Vaporization: 59.4 kJ/mol; (21)Boiling Point: 349.5 °C at 760 mmHg; (22)Vapour Pressure: 4.69E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(Nc1ccc(F)cc1)CBr
(2)InChI: InChI=1/C8H7BrFNO/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5H2,(H,11,12)
(3)InChIKey: JXUWYCOGYOQUST-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C8H7BrFNO/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5H2,(H,11,12)
(5)Std. InChIKey: JXUWYCOGYOQUST-UHFFFAOYSA-N