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CAS No.: | 66684-64-8 |
---|---|
Name: | 3,4-Difluoro-6-Nitroanisole |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H5F2NO3 |
Molecular Weight: | 189.118 |
Synonyms: | 1,2-Difluoro-4-methoxy-5-nitrobenzene; |
Density: | 1.414 g/cm3 |
Boiling Point: | 264.7 °C at 760 mmHg |
Flash Point: | 113.9 °C |
PSA: | 55.05000 |
LogP: | 2.40480 |
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The 3,4-Difluoro-6-nitroanisole, with the CAS registry number 66684-64-8, is also known as Benzene, 1,2-difluoro-4-methoxy-5-nitro-. This chemical's molecular formula is C7H5F2NO3 and molecular weight is 189.12. What's more, its IUPAC name is called 1,2-Difluoro-4-methoxy-5-nitrobenzene.
Physical properties about 3,4-Difluoro-6-nitroanisole are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.57; (5)ACD/BCF (pH 5.5): 9.16; (6)ACD/BCF (pH 7.4): 9.16; (7)ACD/KOC (pH 5.5): 169.82; (8)ACD/KOC (pH 7.4): 169.82; (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: 1.502; (14)Molar Refractivity: 39.46 cm3; (15)Molar Volume: 133.6 cm3; (16)Surface Tension: 38.7 dyne/cm; (17)Density: 1.414 g/cm3; (18)Flash Point: 113.9 °C; (19)Enthalpy of Vaporization: 48.24 kJ/mol; (20)Boiling Point: 264.7 °C at 760 mmHg; (21) Vapour Pressure: 0.0156 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1cc(c(cc1[N+](=O)[O-])F)F
(2) InChI: InChI=1S/C7H5F2NO3/c1-13-7-3-5(9)4(8)2-6(7)10(11)12/h2-3H,1H3
(3) InChIKey: JQFISHUXFQMRFG-UHFFFAOYSA-N