2-chloro-6-nitro-4-(trifluoromethyl)aniline

2-chloro-6-nitro-4-(trifluoromethyl)aniline

CAS: 57729-79-0

Formula: C7H4ClF3N2O2

SMILES: NC1=C(Cl)C=C(C=C1[N+]([O-])=O)C(F)(F)F

IUPAC: 2-chloro-6-nitro-4-(trifluoromethyl)aniline

InChI: InChI=1S/C7H4ClF3N2O2/c8-4-1-3(7(9,10)11)2-5(6(4)12)13(14)15/h1-2H,12H2

Composition: C (34.95%), H (1.68%), Cl (14.74%), F (23.69%), N (11.65%), O (13.30%)

Molar Mass: 240.57

Atom Count: 19

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	239.9913396
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JLWRJMVXRUKFPA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.86
Topological Polar Surface Area	69.16
Polarizability	16.85
Ring Count	1
Rotatable Bond Count	2

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