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27423-79-6

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Basic Information
CAS No.: 27423-79-6
Name: 2-(3-FLUORO-PHENYL)-1H-IMIDAZOLE
Article Data: 3
Molecular Structure:
Molecular Structure of 27423-79-6 (2-(3-FLUORO-PHENYL)-1H-IMIDAZOLE)
Formula: C9H7FN2
Molecular Weight: 162.166
Synonyms: Imidazole,2-(m-fluorophenyl)- (8CI);NSC 245205;
Density: 1.242 g/cm3
Boiling Point: 344.9 °C at 760 mmHg
Flash Point: 162.4 °C
PSA: 28.68000
LogP: 2.21580
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    Molecular Formula: C9H7FN2 Formula Weight: 162.1636832

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Specification

The 1H-Imidazole,2-(3-fluorophenyl)-, with the CAS registry number 27423-79-6, is also known as Imidazole,2-(m-fluorophenyl)- (8CI). This chemical's molecular formula is C9H7FN2 and molecular weight is 162.1637. What's more, its IUPAC name and systematic name are the same which is called 2-(3-Fluorophenyl)-1H-imidazole.

Physical properties about 1H-Imidazole,2-(3-fluorophenyl)-: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.13; (4)ACD/LogD (pH 7.4): 2.08; (5)ACD/BCF (pH 5.5): 2.45; (6)ACD/BCF (pH 7.4): 22.02; (7)ACD/KOC (pH 5.5): 34.31; (8)ACD/KOC (pH 7.4): 308.38; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 43.36 cm3; (15)Molar Volume: 130.4 cm3; (16)Surface Tension: 46.9 dyne/cm; (17)Density: 1.242 g/cm3; (18)Flash Point: 162.4 °C; (19)Enthalpy of Vaporization: 56.56 kJ/mol; (20)Boiling Point: 344.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000128 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cccc(c1)c2nccn2
(2) InChI: InChI=1/C9H7FN2/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-6H,(H,11,12)
(3) InChIKey: JAHNSTQSQJOJLO-UHFFFAOYAC