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

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

CAS: 80245-27-8

Formula: C8H6ClF3

SMILES: CC1=CC=C(Cl)C(=C1)C(F)(F)F

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

InChI: InChI=1S/C8H6ClF3/c1-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3

Composition: C (49.38%), H (3.11%), Cl (18.22%), F (29.29%)

Molar Mass: 194.58

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 194.0110124
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey CMXLWMLABMJODV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.88
Topological Polar Surface Area 0
Polarizability 15.21
Ring Count 1
Rotatable Bond Count 1

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