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

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

CAS: 1099597-61-1

Formula: C8H5ClF4

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

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

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

Composition: C (45.20%), H (2.37%), Cl (16.68%), F (35.75%)

Molar Mass: 212.57

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 212.0015905
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey QWMZFRYKDGGQAS-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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