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CAS No.: | 641-49-6 |
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Name: | 2-Fluoro-6-Methoxynitrobenzene |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C7H6FNO3 |
Molecular Weight: | 171.128 |
Synonyms: | 1-Fluoro-3-methoxy-2-nitrobenzene;3-Fluoro-2-nitrophenyl methyl ether;2-Fluoro-6-Methoxynitrobenzene; |
Density: | 1.322 g/cm3 |
Boiling Point: | 254.011 °C at 760 mmHg |
Flash Point: | 107.422 °C |
PSA: | 55.05000 |
LogP: | 2.26570 |
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The 3-Fluoro-2-nitroanisole, with the CAS registry number 641-49-6, is also known as 2-Fluoro-6-Methoxynitrobenzene. This chemical's molecular formula is C7H6FNO3 and molecular weight is 171.13. What's more, its systematic name is 1-Fluoro-3-methoxy-2-nitrobenzene.
Physical properties of 3-Fluoro-2-nitroanisole are: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.45; (4)ACD/LogD (pH 7.4): 1.45; (5)ACD/BCF (pH 5.5): 7.45; (6)ACD/BCF (pH 7.4): 7.45; (7)ACD/KOC (pH 5.5): 146.47; (8)ACD/KOC (pH 7.4): 146.47; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 39.471 cm3; (15)Molar Volume: 129.487 cm3; (16)Polarizability: 15.647×10-24cm3; (17)Surface Tension: 40.45 dyne/cm; (18)Density: 1.322 g/cm3; (19)Flash Point: 107.422 °C; (20)Enthalpy of Vaporization: 47.156 kJ/mol; (21)Boiling Point: 254.011 °C at 760 mmHg; (22)Vapour Pressure: 0.028 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cccc(c1N(=O)=O)F
(2)Std. InChI: InChI=1S/C7H6FNO3/c1-12-6-4-2-3-5(8)7(6)9(10)11/h2-4H,1H3
(3)Std. InChIKey: GMWOSSBFNSZKAH-UHFFFAOYSA-N