1- (3-Chlorophenyl) -2,2-diethoxyethanone

CAT: 0127-OR1083339-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1083339-01Size:250 mg

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CAS Number

1402458-54-1

Purity

95%

Smiles

C (=O) (C (OCC) OCC) c1cc (Cl) ccc1

Chemical Information

1-(3-Chlorophenyl)-2,2-diethoxyethanone

CAS Number	1402458-54-1
PubChem CID	79496234
IUPAC Name	1-(3-chlorophenyl)-2,2-diethoxyethanone
Molecular Formula	C12H15ClO3
Molecular Weight	242.70
XLogP	2.8
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	16
Formal Charge	0
Complexity	214

SMILES

CCOC(C(=O)C1=CC(=CC=C1)Cl)OCC

InChI

InChI=1S/C12H15ClO3/c1-3-15-12(16-4-2)11(14)9-6-5-7-10(13)8-9/h5-8,12H,3-4H2,1-2H3

InChIKey

CGTASQWKONSJCT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1402458-54-1

CID: 79496234

Formula: C12H15ClO3

MW: 242.70

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	242.70
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	242.0709720
Monoisotopic Mass	242.0709720
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	214
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC1014304-01	1- (3-Bromo-2-fluorophenyl) -2,2-diethoxyethanone
OR1083615-01	1- (1,3-Benzodioxol-5-yl) -2,2-diethoxyethanone
OR26939	1- (2-chlorophenyl) -3- (3-chlorophenyl) prop-2-en-1-one
OR25977	2- (2-chlorophenyl) -1,3-oxazole
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PC1022266-01	1- (3-chlorophenyl) -2-fluoroethanone
OR1064402-01	(2-Chlorophenyl) (3-chlorophenyl) methanone
OR1088655	1- (3-Chlorophenyl) -2-methoxyethanone
PC201358-01	1- (3-Chlorophenyl) -2,2,2-trifluoroethylamine

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