5-chloro-2-nitro-4-(trifluoromethoxy)aniline

5-chloro-2-nitro-4-(trifluoromethoxy)aniline

CAS: 914637-23-3

Formula: C7H4ClF3N2O3

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

IUPAC: 5-chloro-2-nitro-4-(trifluoromethoxy)aniline

InChI: InChI=1S/C7H4ClF3N2O3/c8-3-1-4(12)5(13(14)15)2-6(3)16-7(9,10)11/h1-2H,12H2

Composition: C (32.77%), H (1.57%), Cl (13.82%), F (22.21%), N (10.92%), O (18.71%)

Molar Mass: 256.57

Atom Count: 20

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	255.9862542
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	NFVAJIPVDHPZKP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.95
Topological Polar Surface Area	78.39
Polarizability	17.68
Ring Count	1
Rotatable Bond Count	3

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