1-bromo-3-methyl-5-(trifluoromethyl)benzene

1-bromo-3-methyl-5-(trifluoromethyl)benzene

CAS: 86845-28-5

Formula: C8H6BrF3

SMILES: CC1=CC(Br)=CC(=C1)C(F)(F)F

IUPAC: 1-bromo-3-methyl-5-(trifluoromethyl)benzene

InChI: InChI=1S/C8H6BrF3/c1-5-2-6(8(10,11)12)4-7(9)3-5/h2-4H,1H3

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	ZDAIYLXHTGIUGY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.7
Topological Polar Surface Area	0
Polarizability	16.35
Ring Count	1
Rotatable Bond Count	1

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