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

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

CAS: 24096-64-8

Formula: C8H5Cl2F3

SMILES: FC(F)(F)C1=C(CCl)C=CC(Cl)=C1

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

InChI: InChI=1S/C8H5Cl2F3/c9-4-5-1-2-6(10)3-7(5)8(11,12)13/h1-3H,4H2

Composition: C (41.96%), H (2.20%), Cl (30.96%), F (24.89%)

Molar Mass: 229.02

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 227.9720401
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey RKCUWMDOGLJXLM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.7
Topological Polar Surface Area 0
Polarizability 17.22
Ring Count 1
Rotatable Bond Count 2

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