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89302-15-8

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Basic Information
CAS No.: 89302-15-8
Name: (5-METHOXY-2-NITRO-PHENYL)-ACETONITRILE
Article Data: 15
Molecular Structure:
Molecular Structure of 89302-15-8 ((5-METHOXY-2-NITRO-PHENYL)-ACETONITRILE)
Formula: C9H8N2O3
Molecular Weight: 192.174
Synonyms: 5-Methoxy-2-nitrobenzeneacetonitrile;5-Methoxy-2-nitrophenylacetonitrile;
Density: 1.268 g/cm3
Boiling Point: 366.9 °C at 760 mmHg
Flash Point: 175.7 °C
PSA: 78.84000
LogP: 2.19268
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Specification

The Benzeneacetonitrile,5-methoxy-2-nitro-, with the CAS registry number 89302-15-8, is also known as 2-Nitro-5-methoxyphenylacetonitrile. This chemical's molecular formula is C9H8N2O3 and molecular weight is 192.17. Its systematic name is called (5-methoxy-2-nitrophenyl)acetonitrile.

Physical properties of Benzeneacetonitrile,5-methoxy-2-nitro-: (1)ACD/LogP: 1.26; (2)ACD/LogD (pH 5.5): 1.26; (3)ACD/LogD (pH 7.4): 1.26; (4)ACD/BCF (pH 5.5): 5.35; (5)ACD/BCF (pH 7.4): 5.35; (6)ACD/KOC (pH 5.5): 115.56; (7)ACD/KOC (pH 7.4): 115.56; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.559; (11)Molar Refractivity: 48.93 cm3; (12)Molar Volume: 151.4 cm3; (13)Surface Tension: 50.7 dyne/cm; (14)Density: 1.268 g/cm3; (15)Flash Point: 175.7 °C; (16)Enthalpy of Vaporization: 61.34 kJ/mol; (17)Boiling Point: 366.9 °C at 760 mmHg; (18)Vapour Pressure: 1.41E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c(cc(OC)cc1)CC#N
(2)InChI: InChI=1/C9H8N2O3/c1-14-8-2-3-9(11(12)13)7(6-8)4-5-10/h2-3,6H,4H2,1H3
(3)InChIKey: AAPROLSGJIZKSF-UHFFFAOYAX