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CAS No.: | 735-06-8 |
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Name: | 2'-FLUORO-2-METHYLAMINO-5-NITROBENZOPHENONE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C14H11FN2O3 |
Molecular Weight: | 274.251 |
Synonyms: | Benzophenone,2'-fluoro-2-(methylamino)-5-nitro- (7CI,8CI);2-(Methylamino)-5-nitro-2'-fluorobenzophenone;2'-Fluoro-2-methylamino-5-nitrobenzophenone;Ro 05-5114; |
EINECS: | 211-998-4 |
Density: | 1.35 g/cm3 |
Melting Point: | 186-187 °C(Solv: dichloromethane (75-09-2); ethyl ether (60-29-7)) |
Boiling Point: | 478.8 °C at 760 mmHg |
Flash Point: | 243.4 °C |
PSA: | 74.92000 |
LogP: | 3.60280 |
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This chemical is called Methanone,(2-fluorophenyl)[2-(methylamino)-5-nitrophenyl]-, and its IUPAC name is (2-fluorophenyl)-[2-(methylamino)-5-nitrophenyl]methanone. With the molecular formula of C14H11FN2O3, its molecular weight is 274.25. The CAS registry number of this chemical is 735-06-8. Additionally, its product categories are Aromatic Benzophenones & Derivatives (substituted).
Other characteristics of the Methanone,(2-fluorophenyl)[2-(methylamino)-5-nitrophenyl]- can be summarised as followings: (1)ACD/LogP: 3.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.85; (4)ACD/LogD (pH 7.4): 3.85; (5)ACD/BCF (pH 5.5): 497.84; (6)ACD/BCF (pH 7.4): 497.84; (7)ACD/KOC (pH 5.5): 2966.04; (8)ACD/KOC (pH 7.4): 2966.04; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 66.13 Å2; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 72.19 cm3; (15)Molar Volume: 203 cm3; (16)Polarizability: 28.62×10-24cm3; (17)Surface Tension: 53.2 dyne/cm; (18)Density: 1.35 g/cm3; (19)Flash Point: 243.4 °C; (20)Enthalpy of Vaporization: 74.3 kJ/mol; (21)Boiling Point: 478.8 °C at 760 mmHg; (22)Vapour Pressure: 2.49E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc2ccccc2C(=O)c1cc(ccc1NC)[N+]([O-])=O
2.InChI: InChI=1/C14H11FN2O3/c1-16-13-7-6-9(17(19)20)8-11(13)14(18)10-4-2-3-5-12(10)15/h2-8,16H,1H3
3.InChIKey: GVXPKRIRHDRCGY-UHFFFAOYAP