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

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

CAS: 1214350-42-1

Formula: C8H5BrClF3

SMILES: FC(F)(F)C1=C(CCl)C=CC(Br)=C1

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

InChI: InChI=1S/C8H5BrClF3/c9-6-2-1-5(4-10)7(3-6)8(11,12)13/h1-3H,4H2

Composition: C (35.14%), H (1.84%), Br (29.22%), Cl (12.96%), F (20.84%)

Molar Mass: 273.48

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 271.921525
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey XVCNGLMYDHVHNO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.52
Topological Polar Surface Area 0
Polarizability 18.38
Ring Count 1
Rotatable Bond Count 2

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