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

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

CAS: 78068-85-6

Formula: C7H3ClF4

SMILES: FC1=CC=C(C=C1Cl)C(F)(F)F

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

InChI: InChI=1S/C7H3ClF4/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H

Composition: C (42.35%), H (1.52%), Cl (17.85%), F (38.28%)

Molar Mass: 198.54

Atom Count: 15

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	197.9859404
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	BKHVEYHSOXVAOP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.05
Topological Polar Surface Area	0
Polarizability	13.44
Ring Count	1
Rotatable Bond Count	1

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