Ethyl Oxalyl Monochloride

CAT: 1299-RG-A262950-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A262950-01Size:10 mg

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CAS Number

4755-77-5

Synonyms

Ethyl 2-chloro-2-oxoacetate

Molecular Formula

C4H5ClO3

Molecular Weight

136.53

Product Name Synonym

Ethyl 2-chloro-2-oxoacetate

Chemical Information

Ethoxalyl chloride

structure in first source

CAS Number	4755-77-5
PubChem CID	20884
IUPAC Name	ethyl 2-chloro-2-oxoacetate
Molecular Formula	C4H5ClO3
Molecular Weight	136.53
XLogP	1.4
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	110

SMILES

CCOC(=O)C(=O)Cl

InChI

InChI=1S/C4H5ClO3/c1-2-8-4(7)3(5)6/h2H2,1H3

InChIKey

OWZFULPEVHKEKS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4755-77-5

CID: 20884

Formula: C4H5ClO3

MW: 136.53

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	136.53
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	135.9927217
Monoisotopic Mass	135.9927217
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	110
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

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Catalog	Name
FE32414-01	Ethyl oxalyl monochloride
53145053	Ethyl oxalyl chloride
E13430-01	Ethyl oxalyl chloride 99%
TRC-M314210-50MG	Mono(3-((4-ammonio-2-methylpyrimidin-5-yl)methyl)-5-(2-((hydroxy(phosphonooxy)phosphoryl)oxy)ethyl)-2-(1-hydroxyethyl)-4-methylthiazol-3-ium) Monochloride
HY-A0100-01	Thiamine monochloride
280643-01	Iodine monochloride
HY-CE01916	Oxalyl-CoA
TRC-O870725-1G	Oxalyl Bromide
TRC-O845020-250G	Oxalyl Chloride
O03790-01	Oxalyl dihydrazide