2-chloro-3-(1,1-difluoroethyl)-4-fluoro-1-methylbenzene

2-chloro-3-(1,1-difluoroethyl)-4-fluoro-1-methylbenzene

CAS: 1138444-90-2

Formula: C9H8ClF3

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

IUPAC: 2-chloro-3-(1,1-difluoroethyl)-4-fluoro-1-methylbenzene

InChI: InChI=1S/C9H8ClF3/c1-5-3-4-6(11)7(8(5)10)9(2,12)13/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	PKYXSNWBQUFFHN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.23
Topological Polar Surface Area	0
Polarizability	16.97
Ring Count	1
Rotatable Bond Count	1

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