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| CAS No.: | 705-84-0 |
|---|---|
| Name: | 1-Fluoro-3-(2-nitrovinyl)benzene |
| Molecular Structure: | |
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| Formula: | C8H6FNO2 |
| Molecular Weight: | 167.14 |
| Synonyms: | Styrene,m-fluoro-b-nitro- (7CI,8CI);1-(2-Nitrovinyl)-3-fluorobenzene;NSC 295466;m-Fluoro-b-nitrostyrene;1-Fluoro-3-(2-nitrovinyl)benzene; |
| Density: | 1.276 g/cm3 |
| Melting Point: | 46-47 °C |
| Boiling Point: | 254.5 °C at 760 mmHg |
| Flash Point: | 107.7 °C |
| PSA: | 45.82000 |
| LogP: | 2.59630 |
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- Total:20 Page 1 of 1 1
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Specification
The 1-Fluoro-3-(2-nitrovinyl)benzene with the CAS number 705-84-0 is also called Benzene,1-fluoro-3-(2-nitroethenyl)-. Both the systematic name and IUPAC name are 1-fluoro-3-[(E)-2-nitroethenyl]benzene. Its molecular formula is C8H6FNO2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 2.27; (5)ACD/BCF (pH 5.5): 31.2; (6)ACD/BCF (pH 7.4): 31.2; (7)ACD/KOC (pH 5.5): 408.44; (8)ACD/KOC (pH 7.4): 408.44; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 43.52 cm3; (15)Molar Volume: 130.8 cm3; (16)Polarizability: 17.25×10-24cm3; (17)Surface Tension: 43.4 dyne/cm; (18)Enthalpy of Vaporization: 47.21 kJ/mol; (19)Vapour Pressure: 0.0274 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(/C=C/[N+]([O-])=O)ccc1
(2)InChI: InChI=1/C8H6FNO2/c9-8-3-1-2-7(6-8)4-5-10(11)12/h1-6H/b5-4+
(3)InChIKey: NOXNBNYWEWJUTM-SNAWJCMRBU