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| CAS No.: | 198203-94-0 |
|---|---|
| Name: | Benzonitrile, 2-fluoro-3-methoxy- (9CI) |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C8H6FNO |
| Molecular Weight: | 151.14 |
| Synonyms: | Benzonitrile, 2-fluoro-3-methoxy- (9CI) |
| Density: | 1.186 g/cm3 |
| Boiling Point: | 0.079 mmHg at 25 °C |
| Flash Point: | 91.187 °C |
| PSA: | 33.02000 |
| LogP: | 1.70598 |
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Specification
The Benzonitrile, 2-fluoro-3-methoxy- (9CI) is an organic compound with the formula C8H6FNO. The IUPAC name of this chemical is 2-Fluoro-3-methoxybenzonitrile. Its CAS registry number is 198203-94-0. In addition, the molecular weight is 151.1377432. It belongs to the product category of Halide.
Physical properties about Benzonitrile, 2-fluoro-3-methoxy- (9CI) are: (1)ACD/LogP: 2.79; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 114; (8)ACD/KOC (pH 7.4): 114; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.02 Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 37.798 cm3; (15)Molar Volume: 127.396 cm3; (16)Polarizability: 14.984×10-24 cm3; (17)Surface Tension: 39.308 dyne/cm; (18)Density: 1.186 g/cm3; (19)Flash Point: 91.187 °C; (20)Enthalpy of Vaporization: 46.373 kJ/mol; (21)Boiling Point: 227.166 °C at 760 mmHg; (22)Vapour Pressure: 0.079 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(cccc1OC)C#N
(2) InChI: InChI=1/C8H6FNO/c1-11-7-4-2-3-6(5-10)8(7)9/h2-4H,1H3
(3) InChIKey: MTZXEJOKWAFGGH-UHFFFAOYAJ