1-nitro-2-(trifluoromethoxy)benzene

1-nitro-2-(trifluoromethoxy)benzene

CAS: 1644-88-8

Formula: C7H4F3NO3

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

IUPAC: 1-nitro-2-(trifluoromethoxy)benzene

InChI: InChI=1S/C7H4F3NO3/c8-7(9,10)14-6-4-2-1-3-5(6)11(12)13/h1-4H

Composition: C (40.60%), H (1.95%), F (27.52%), N (6.76%), O (23.17%)

Molar Mass: 207.108

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	207.014327482
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YTWBYJAWWKTPOV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.45
Topological Polar Surface Area	52.37
Polarizability	14.46
Ring Count	1
Rotatable Bond Count	3

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