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1-(chlorodifluoromethyl)-4-(trifluoromethyl)benzene

1-(chlorodifluoromethyl)-4-(trifluoromethyl)benzene

CAS: 13947-94-9

Formula: C8H4ClF5

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

IUPAC: 1-(chlorodifluoromethyl)-4-(trifluoromethyl)benzene

InChI: InChI=1S/C8H4ClF5/c9-7(10,11)5-1-3-6(4-2-5)8(12,13)14/h1-4H

Composition: C (41.68%), H (1.75%), Cl (15.38%), F (41.20%)

Molar Mass: 230.56

Atom Count: 18

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 229.9921686
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey YDRVRFILFNVROV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.84
Topological Polar Surface Area 0
Polarizability 15.16
Ring Count 1
Rotatable Bond Count 2

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