The 4-(Aminomethyl)-2-fluorobenzonitrile is an organic compound with the formula C8H7FN2. The systematic name of this chemical is 4-(aminomethyl)-2-fluorobenzonitrile. With the CAS registry number 368426-73-7, it is also named as benzonitrile, 4-(aminomethyl)-2-fluoro-. The product's category is Halide.
Physical properties about this chemical are: (1)ACD/LogP: 1.56; (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): 5; (6)#H bond acceptors: 2; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 49.81Å2; (10)Index of Refraction: 1.548; (11)Molar Refractivity: 39.681 cm3; (12)Molar Volume: 124.884 cm3; (13)Polarizability: 15.731×10-24cm3; (14)Surface Tension: 47.815 dyne/cm; (15)Density: 1.202 g/cm3; (16)Flash Point: 115.429 °C; (17)Enthalpy of Vaporization: 50.527 kJ/mol; (18)Boiling Point: 267.25 °C at 760 mmHg; (19)Vapour Pressure: 0.008 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(cc1F)CN
(2)InChI: InChI=1/C8H7FN2/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3H,4,10H2
(3)InChIKey:QREAXVRKRXUJKQ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H7FN2/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3H,4,10H2
(5)Std. InChIKey: QREAXVRKRXUJKQ-UHFFFAOYSA-N
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