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1H-Pyrrole,1-(3-fluorophenyl)-2,5-dimethyl-

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Name

1H-Pyrrole,1-(3-fluorophenyl)-2,5-dimethyl-

EINECS N/A
CAS No. 146135-21-9 Density 1.04 g/cm3
PSA 4.93000 LogP 3.23320
Solubility N/A Melting Point N/A
Formula C12H12FN Boiling Point 272.1 °C at 760 mmHg
Molecular Weight 189.232 Flash Point 118.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 146135-21-9 (1-(3-Fluorophenyl)-2,5-diMethylpyrrole) Hazard Symbols N/A
Synonyms

1-(4-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrole;

Article Data 2

1H-Pyrrole,1-(3-fluorophenyl)-2,5-dimethyl- Specification

The 1H-Pyrrole,1-(3-fluorophenyl)-2,5-dimethyl-, with the CAS registry number 146135-21-9, is also known as 1-(4-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrole. This chemical's molecular formula is C12H12FN and molecular weight is 189.2288. What's more, its systematic name is also called 1-(4-Fluorophenyl)-2,5-dimethyl-1H-pyrrole.

Physical properties about 1H-Pyrrole,1-(3-fluorophenyl)-2,5-dimethyl- are: (1)ACD/LogP: 4.05; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.05; (4)ACD/LogD (pH 7.4): 4.05; (5)ACD/BCF (pH 5.5): 707; (6)ACD/BCF (pH 7.4): 707; (7)ACD/KOC (pH 5.5): 3812.56; (8)ACD/KOC (pH 7.4): 3812.56; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 4.93 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 56.2 cm3; (15)Molar Volume: 180.6 cm3; (16)Polarizability: 22.28×10-24 cm3; (17)Surface Tension: 31.3 dyne/cm; (18)Density: 1.04 g/cm3; (19)Flash Point: 118.3 °C; (20)Enthalpy of Vaporization: 48.98 kJ/mol; (21)Boiling Point: 272.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0104 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(cc1)n2c(ccc2C)C
(2) InChI: InChI=1/C12H12FN/c1-9-3-4-10(2)14(9)12-7-5-11(13)6-8-12/h3-8H,1-2H3
(3) InChIKey: AIWFQKZWZOYVMK-UHFFFAOYAH

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