1-(bromomethyl)-3-(trifluoromethyl)benzene

1-(bromomethyl)-3-(trifluoromethyl)benzene

CAS: 402-23-3

Formula: C8H6BrF3

SMILES: FC(F)(F)C1=CC=CC(CBr)=C1

IUPAC: 1-(bromomethyl)-3-(trifluoromethyl)benzene

InChI: InChI=1S/C8H6BrF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2

Composition: C (40.20%), H (2.53%), Br (33.43%), F (23.84%)

Molar Mass: 239.035

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	237.960498
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	MYYYZNVAUZVXBO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.88
Topological Polar Surface Area	0
Polarizability	16.33
Ring Count	1
Rotatable Bond Count	2

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