4-nitro-2-(trifluoromethyl)benzonitrile

4-nitro-2-(trifluoromethyl)benzonitrile

CAS: 320-47-8

Formula: C8H3F3N2O2

SMILES: [O-][N+](=O)C1=CC=C(C#N)C(=C1)C(F)(F)F

IUPAC: 4-nitro-2-(trifluoromethyl)benzonitrile

InChI: InChI=1S/C8H3F3N2O2/c9-8(10,11)7-3-6(13(14)15)2-1-5(7)4-12/h1-3H

Composition: C (44.46%), H (1.40%), F (26.37%), N (12.96%), O (14.81%)

Molar Mass: 216.119

Atom Count: 18

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	216.014661834
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	AGKQJEFSEQHGTA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.07
Topological Polar Surface Area	66.93
Polarizability	15.51
Ring Count	1
Rotatable Bond Count	2

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