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5-nitro-2-(trifluoromethyl)aniline

5-nitro-2-(trifluoromethyl)aniline

CAS: 393-49-7

Formula: C7H5F3N2O2

SMILES: NC1=CC(=CC=C1C(F)(F)F)[N+]([O-])=O

IUPAC: 5-nitro-2-(trifluoromethyl)aniline

InChI: InChI=1S/C7H5F3N2O2/c8-7(9,10)5-2-1-4(12(13)14)3-6(5)11/h1-3H,11H2

Composition: C (40.79%), H (2.45%), F (27.65%), N (13.59%), O (15.52%)

Molar Mass: 206.124

Atom Count: 19

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 206.030311898
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LGHXDTHJGNCRKT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.05
Topological Polar Surface Area 69.16
Polarizability 14.82
Ring Count 1
Rotatable Bond Count 2

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