Methyl 2- (2,5-dichlorophenyl) -2-oxoacetate

CAT: 0926-QMC06754-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-QMC06754-01Size:50 mg

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CAS Number

1565067-54-0

MDL Number

MFCD26057462

Smiles

COC (=O) C (=O) C1=C (C=CC (=C1) Cl) Cl

Molecular Formula

C9H6Cl2O3

Molecular Weight

233.04 g/mol

Controlled

Chemical Information

Methyl 2-(2,5-dichlorophenyl)-2-oxoacetate

CAS Number	1565067-54-0
PubChem CID	112616438
IUPAC Name	methyl 2-(2,5-dichlorophenyl)-2-oxoacetate
Molecular Formula	C9H6Cl2O3
Molecular Weight	233.04
XLogP	3
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	242

SMILES

COC(=O)C(=O)C1=C(C=CC(=C1)Cl)Cl

InChI

InChI=1S/C9H6Cl2O3/c1-14-9(13)8(12)6-4-5(10)2-3-7(6)11/h2-4H,1H3

InChIKey

OVOKZARCQCGFLX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1565067-54-0

CID: 112616438

Formula: C9H6Cl2O3

MW: 233.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	233.04
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	231.9693994
Monoisotopic Mass	231.9693994
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	242
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
WDA12966-01	Methyl 2- (2,5-dichlorophenyl) acetate
PBA16344-01	Methyl 2-cyclopentyl-2-oxoacetate
ZZB70588-01	Methyl 2- (3,5-dichlorophenyl) -2-hydroxyacetate
FCA67421-01	Methyl 2- (1-methylcyclopropyl) -2-oxoacetate
XFA98365-01	Methyl 2- (4-aminophenyl) -2-oxoacetate
HCA69928	Methyl 2- (4-bromophenyl) -2-oxoacetate
HBA76661-01	Methyl 2- (4-methoxyphenyl) -2-oxoacetate
JBA96653-01	Methyl 2- (4-methylphenyl) -2-oxoacetate
MBA54228	Methyl 2- (4-chlorophenyl) -2-oxoacetate
KJC41516-01	[ (2,5-Dichlorophenyl) methyl]triphenylphosphanium chloride

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