N-methyl-2-nitro-4-(trifluoromethyl)aniline

N-methyl-2-nitro-4-(trifluoromethyl)aniline

CAS: 20200-22-0

Formula: C8H7F3N2O2

SMILES: CNC1=CC=C(C=C1[N+]([O-])=O)C(F)(F)F

IUPAC: N-methyl-2-nitro-4-(trifluoromethyl)aniline

InChI: InChI=1S/C8H7F3N2O2/c1-12-6-3-2-5(8(9,10)11)4-7(6)13(14)15/h2-4,12H,1H3

Composition: C (43.65%), H (3.21%), F (25.89%), N (12.72%), O (14.53%)

Molar Mass: 220.151

Atom Count: 22

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	220.045961962
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WNTLWKOCTHOISL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.55
Topological Polar Surface Area	55.17
Polarizability	16.59
Ring Count	1
Rotatable Bond Count	3

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