2-[4-(trifluoromethyl)phenyl]acetyl chloride

2-[4-(trifluoromethyl)phenyl]acetyl chloride

CAS: 74426-51-0

Formula: C9H6ClF3O

SMILES: FC(F)(F)C1=CC=C(CC(Cl)=O)C=C1

IUPAC: 2-[4-(trifluoromethyl)phenyl]acetyl chloride

InChI: InChI=1S/C9H6ClF3O/c10-8(14)5-6-1-3-7(4-2-6)9(11,12)13/h1-4H,5H2

Composition: C (48.56%), H (2.72%), Cl (15.93%), F (25.61%), O (7.19%)

Molar Mass: 222.59

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	222.005927
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	MLMKUFMLPHQPFO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.2
Topological Polar Surface Area	17.07
Polarizability	17.25
Ring Count	1
Rotatable Bond Count	3

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