1-(chloromethyl)-4-(trifluoromethyl)benzene

1-(chloromethyl)-4-(trifluoromethyl)benzene

CAS: 939-99-1

Formula: C8H6ClF3

SMILES: FC(F)(F)C1=CC=C(CCl)C=C1

IUPAC: 1-(chloromethyl)-4-(trifluoromethyl)benzene

InChI: InChI=1S/C8H6ClF3/c9-5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2

Composition: C (49.38%), H (3.11%), Cl (18.22%), F (29.29%)

Molar Mass: 194.58

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	194.0110124
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	MCHDHQVROPEJJT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.9
Topological Polar Surface Area	0
Polarizability	15.22
Ring Count	1
Rotatable Bond Count	2

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