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4-(chloromethyl)-1-fluoro-2-(trifluoromethyl)benzene

4-(chloromethyl)-1-fluoro-2-(trifluoromethyl)benzene

CAS: 67515-62-2

Formula: C8H5ClF4

SMILES: FC1=CC=C(CCl)C=C1C(F)(F)F

IUPAC: 4-(chloromethyl)-1-fluoro-2-(trifluoromethyl)benzene

InChI: InChI=1S/C8H5ClF4/c9-4-5-1-2-7(10)6(3-5)8(11,12)13/h1-3H,4H2

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 LSKZGATXKOIZNR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.11
Topological Polar Surface Area 0
Polarizability 15.13
Ring Count 1
Rotatable Bond Count 2

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98% <7 Days 67515-62-2 $181.13-$380.88$181.13$229.77$380.88
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