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134071-11-7

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Basic Information
CAS No.: 134071-11-7
Name: 1-(2,4-DIFLUOROPHENYL)-2-(1H-IMIDAZOL-1-YL)-1-ETHANONE
Article Data: 10
Molecular Structure:
Molecular Structure of 134071-11-7 (1-(2,4-DIFLUOROPHENYL)-2-(1H-IMIDAZOL-1-YL)-1-ETHANONE)
Formula: C11H8F2N2O
Molecular Weight: 222.194
Synonyms: 1-(2,4-Difluorophenyl)-2-(1H-imidazol-1-yl)ethanone;
Density: 1.297 g/cm3
Melting Point: 122 °C
Boiling Point: 401.501 °C at 760 mmHg
Flash Point: 196.621 °C
PSA: 34.89000
LogP: 2.04420
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Specification

The CAS registry number of Ethanone,1-(2,4-difluorophenyl)-2-(1H-imidazol-1-yl)- is 134071-11-7. The IUPAC name is 1-(2,4-difluorophenyl)-2-(1H-imidazol-1-yl)ethanone. In addition, the molecular formula is C11H8F2N2O and the molecular weight is 222.19. It belongs to the class of API Intermediates.

Physical properties about Ethanone,1-(2,4-difluorophenyl)-2-(1H-imidazol-1-yl)- are: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 20; (8)ACD/KOC (pH 7.4): 79; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 34.89 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 55.743 cm3; (15)Molar Volume: 171.272 cm3; (16)Polarizability: 22.098 ×10-24cm3; (17)Surface Tension: 39.497 dyne/cm; (18)Density: 1.297 g/cm3; (19)Flash Point: 196.621 °C; (20)Enthalpy of Vaporization: 65.252 kJ/mol; (21)Boiling Point: 401.501 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cn1ccnc1)c2ccc(F)cc2F
(2)InChI: InChI=1/C11H8F2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7H,6H2
(3)InChIKey: SOZGBQIEPMIPHN-UHFFFAOYAP