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

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

CAS: 25889-38-7

Formula: C7H3ClF3NO2

SMILES: [O-][N+](=O)C1=CC(Cl)=CC=C1C(F)(F)F

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

InChI: InChI=1S/C7H3ClF3NO2/c8-4-1-2-5(7(9,10)11)6(3-4)12(13)14/h1-3H

Composition: C (37.28%), H (1.34%), Cl (15.72%), F (25.27%), N (6.21%), O (14.19%)

Molar Mass: 225.55

Atom Count: 17

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	224.9804405
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	DDNRGAUZMIFKQS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.16
Topological Polar Surface Area	43.14
Polarizability	15.66
Ring Count	1
Rotatable Bond Count	2

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