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

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

CAS: 1260890-50-3

Formula: C7H2BrClF4

SMILES: FC1=C(C=CC(Br)=C1Cl)C(F)(F)F

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

InChI: InChI=1S/C7H2BrClF4/c8-4-2-1-3(7(11,12)13)6(10)5(4)9/h1-2H

Composition: C (30.30%), H (0.73%), Br (28.80%), Cl (12.78%), F (27.39%)

Molar Mass: 277.44

Atom Count: 15

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 275.896453
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey QMJQGEXPVIILPJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.68
Topological Polar Surface Area 0
Polarizability 16.7
Ring Count 1
Rotatable Bond Count 1

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