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2-chloro-1,4-bis(trifluoromethyl)benzene

2-chloro-1,4-bis(trifluoromethyl)benzene

CAS: 328-91-6

Formula: C8H3ClF6

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

IUPAC: 2-chloro-1,4-bis(trifluoromethyl)benzene

InChI: InChI=1S/C8H3ClF6/c9-6-3-4(7(10,11)12)1-2-5(6)8(13,14)15/h1-3H

Composition: C (38.66%), H (1.22%), Cl (14.26%), F (45.86%)

Molar Mass: 248.55

Atom Count: 18

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 247.9827468
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey IDNVTCBYGYOPKJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.81
Topological Polar Surface Area 0
Polarizability 15.22
Ring Count 1
Rotatable Bond Count 2

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