1,2-dimethyl-4-(trifluoromethyl)benzene

1,2-dimethyl-4-(trifluoromethyl)benzene

CAS: 78164-31-5

Formula: C9H9F3

SMILES: CC1=CC=C(C=C1C)C(F)(F)F

IUPAC: 1,2-dimethyl-4-(trifluoromethyl)benzene

InChI: InChI=1S/C9H9F3/c1-6-3-4-8(5-7(6)2)9(10,11)12/h3-5H,1-2H3

Composition: C (62.07%), H (5.21%), F (32.72%)

Molar Mass: 174.166

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	174.065634779
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	XBHTYKIYEUHMIA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.11
Topological Polar Surface Area	0
Polarizability	14.94
Ring Count	1
Rotatable Bond Count	1

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