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2-chloro-4-fluoro-1-methyl-3-(trifluoromethyl)benzene hydrochloride

2-chloro-4-fluoro-1-methyl-3-(trifluoromethyl)benzene hydrochloride

CAS: 1099597-61-1

Formula: C8H6Cl2F4

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

IUPAC: 2-chloro-4-fluoro-1-methyl-3-(trifluoromethyl)benzene hydrochloride

InChI: InChI=1S/C8H5ClF4.ClH/c1-4-2-3-5(10)6(7(4)9)8(11,12)13;/h2-3H,1H3;1H

Composition: C (38.58%), H (2.43%), Cl (28.47%), F (30.52%)

Molar Mass: 249.03

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 247.9782682
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey RYFMMFAYZFABPL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.09
Topological Polar Surface Area 0
Polarizability 15.13
Ring Count 1
Rotatable Bond Count 1

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