3-nitro-5-[3-(trifluoromethyl)phenoxy]aniline

3-nitro-5-[3-(trifluoromethyl)phenoxy]aniline

CAS: 832741-23-8

Formula: C13H9F3N2O3

SMILES: NC1=CC(=CC(OC2=CC(=CC=C2)C(F)(F)F)=C1)[N+]([O-])=O

IUPAC: 3-nitro-5-[3-(trifluoromethyl)phenoxy]aniline

InChI: InChI=1S/C13H9F3N2O3/c14-13(15,16)8-2-1-3-11(4-8)21-12-6-9(17)5-10(7-12)18(19)20/h1-7H,17H2

Composition: C (52.36%), H (3.04%), F (19.11%), N (9.39%), O (16.09%)

Molar Mass: 298.221

Atom Count: 30

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	298.056526647
Formal Charge	0
FSP3	0.08
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HHPUZYMJECRKNE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.29
Topological Polar Surface Area	78.39
Polarizability	24.91
Ring Count	2
Rotatable Bond Count	4

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