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1-chloro-4-(1,1-difluoroethyl)-5-fluoro-2-methylbenzene

1-chloro-4-(1,1-difluoroethyl)-5-fluoro-2-methylbenzene

CAS: 1138444-91-3

Formula: C9H8ClF3

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

IUPAC: 1-chloro-4-(1,1-difluoroethyl)-5-fluoro-2-methylbenzene

InChI: InChI=1S/C9H8ClF3/c1-5-3-6(9(2,12)13)8(11)4-7(5)10/h3-4H,1-2H3

Composition: C (51.82%), H (3.87%), Cl (16.99%), F (27.32%)

Molar Mass: 208.61

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 208.0266624
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey ZAFIOHQUQASXQZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.23
Topological Polar Surface Area 0
Polarizability 16.96
Ring Count 1
Rotatable Bond Count 1

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