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

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

CAS: 857061-44-0

Formula: C7H3BrClF3

SMILES: FC(F)(F)C1=C(Br)C=CC=C1Cl

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

InChI: InChI=1S/C7H3BrClF3/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H

Composition: C (32.41%), H (1.17%), Br (30.80%), Cl (13.66%), F (21.97%)

Molar Mass: 259.45

Atom Count: 15

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	257.905875
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	XPIQQGXRDHXMGQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.46
Topological Polar Surface Area	0
Polarizability	16.69
Ring Count	1
Rotatable Bond Count	1

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