1-chloro-2-nitro-4-(trifluoromethoxy)benzene

1-chloro-2-nitro-4-(trifluoromethoxy)benzene

CAS: 588-09-0

Formula: C7H3ClF3NO3

SMILES: [O-][N+](=O)C1=CC(OC(F)(F)F)=CC=C1Cl

IUPAC: 1-chloro-2-nitro-4-(trifluoromethoxy)benzene

InChI: InChI=1S/C7H3ClF3NO3/c8-5-2-1-4(15-7(9,10)11)3-6(5)12(13)14/h1-3H

Composition: C (34.81%), H (1.25%), Cl (14.68%), F (23.60%), N (5.80%), O (19.87%)

Molar Mass: 241.55

Atom Count: 18

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	240.9753551
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	WMEHRJJXMQRTOU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.25
Topological Polar Surface Area	52.37
Polarizability	16.5
Ring Count	1
Rotatable Bond Count	3

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