2-(2,4-Dichlorophenyl)-2-oxoethyl Acetate - CAS 107496-65-1

Catalog:	BB068068
Product Name:	2-(2,4-Dichlorophenyl)-2-oxoethyl Acetate
CAS:	107496-65-1
Synonyms:	2-(Acetyloxy)-1-(2,4-dichlorophenyl)ethanone; 2-Acetoxy-1-(2,4-dichlorophenyl)ethanone; α-Acetoxy-2,4-dichloroacetophenone

Technical Data

Computed Properties

IUPAC Name:	[2-(2,4-dichlorophenyl)-2-oxoethyl] acetate
Description:	2-(2,4-Dichlorophenyl)-2-oxoethyl Acetate is a synthesis intermediate.
Molecular Weight:	247.07
Molecular Formula:	C10H8Cl2O3
Canonical SMILES:	CC(=O)OCC(=O)C1=C(C=C(C=C1)Cl)Cl
InChI:	InChI=1S/C10H8Cl2O3/c1-6(13)15-5-10(14)8-3-2-7(11)4-9(8)12/h2-4H,5H2,1H3
InChI Key:	TVLYHTHOJUURLL-UHFFFAOYSA-N
References:	Kamal, A., et al. Tetrahedron: Asymmetr., 14, 3861 (2003); Bathini, Y., et al. Synth. Commun., 29, 379 (1999).

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Complexity:	255
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.9850495
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	245.9850495
Rotatable Bond Count:	4
Topological Polar Surface Area:	43.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8