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1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene

1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene

CAS: 115571-59-0

Formula: C8H5Cl2F3

SMILES: CC1=C(C=CC(Cl)=C1Cl)C(F)(F)F

IUPAC: 1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene

InChI: InChI=1S/C8H5Cl2F3/c1-4-5(8(11,12)13)2-3-6(9)7(4)10/h2-3H,1H3

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 DKEPZNANVYCVOF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.68
Topological Polar Surface Area 0
Polarizability 17.23
Ring Count 1
Rotatable Bond Count 1

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