1-(bromomethyl)-2-methyl-3-(trifluoromethyl)benzene

1-(bromomethyl)-2-methyl-3-(trifluoromethyl)benzene

CAS: 261952-16-3

Formula: C9H8BrF3

SMILES: CC1=C(C=CC=C1CBr)C(F)(F)F

IUPAC: 1-(bromomethyl)-2-methyl-3-(trifluoromethyl)benzene

InChI: InChI=1S/C9H8BrF3/c1-6-7(5-10)3-2-4-8(6)9(11,12)13/h2-4H,5H2,1H3

Composition: C (42.72%), H (3.19%), Br (31.57%), F (22.52%)

Molar Mass: 253.062

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	251.976148
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	YSABBOPLIUMXKY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.92
Topological Polar Surface Area	0
Polarizability	18.03
Ring Count	1
Rotatable Bond Count	2

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