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

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

CAS: 32137-20-5

Formula: C7H3ClF4

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

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

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