4-nitro-2-(trifluoromethoxy)aniline

4-nitro-2-(trifluoromethoxy)aniline

CAS: 1261753-88-1

Formula: C7H5F3N2O3

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

IUPAC: 4-nitro-2-(trifluoromethoxy)aniline

InChI: InChI=1S/C7H5F3N2O3/c8-7(9,10)15-6-3-4(12(13)14)1-2-5(6)11/h1-3H,11H2

Composition: C (37.85%), H (2.27%), F (25.66%), N (12.61%), O (21.61%)

Molar Mass: 222.123

Atom Count: 20

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	222.025226518
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FFDBXRVBNGKCDQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.15
Topological Polar Surface Area	78.39
Polarizability	15.63
Ring Count	1
Rotatable Bond Count	3

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