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771581-73-8

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Basic Information
CAS No.: 771581-73-8
Name: (4-FLUORO-3-NITROPHENYL) METHANAMINE
Molecular Structure:
Molecular Structure of 771581-73-8 ((4-FLUORO-3-NITROPHENYL) METHANAMINE)
Formula: C7H7FN2O2
Molecular Weight: 170.14
Synonyms: 4-FLUORO-3-NITRO-BENZYLAMINE;(4-FLUORO-3-NITROPHENYL) METHANAMINE;RARECHEM AL BW 0973;Benzenemethanamine, 4-fluoro-3-nitro-
Density: 1.355 g/cm3
Boiling Point: 311.2 °C at 760 mmHg
Flash Point: 142 °C
PSA: 71.84000
LogP: 2.41610
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Specification

The (4-Fluoro-3-nitrophenyl) methanamine is an organic compound with the formula C7H7FN2O2. The systematic name of this chemical is 1-(4-fluoro-3-nitrophenyl)methanamine. With the CAS registry number 771581-73-8, it is also named as benzenemethanamine, 4-fluoro-3-nitro-. The product's categories are Anilines, Aromatic Amines and Nitro Compounds.

Physical properties about (4-Fluoro-3-nitrophenyl) methanamine are: (1)ACD/LogP: 0.56; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1.95; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 71.84 Å2; (10)Index of Refraction: 1.571; (11)Molar Refractivity: 41.24 cm3; (12)Molar Volume: 125.4 cm3; (13)Polarizability: 16.35×10-24cm3; (14)Surface Tension: 51.2 dyne/cm; (15)Density: 1.355 g/cm3; (16)Flash Point: 142 °C; (17)Enthalpy of Vaporization: 55.21 kJ/mol; (18)Boiling Point: 311.2 °C at 760 mmHg; (19)Vapour Pressure: 0.000571 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1cc(ccc1F)CN
(2)InChI: InChI=1/C7H7FN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H,4,9H2
(3)InChIKey: UALXEVNNBBBYCG-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H7FN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H,4,9H2
(5)Std. InChIKey: UALXEVNNBBBYCG-UHFFFAOYSA-N