Ethyl dichloroacetate

CAT: 0024-sc-235042Size: 100 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-235042Size:100 mL

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CAS Number

535-15-9

Chemical Information

Ethyl dichloroacetate

CAS Number	535-15-9
PubChem CID	10808
IUPAC Name	ethyl 2,2-dichloroacetate
Molecular Formula	C4H6Cl2O2
Molecular Weight	156.99
XLogP	1.8
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	82

SMILES

CCOC(=O)C(Cl)Cl

InChI

InChI=1S/C4H6Cl2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3

InChIKey

IWYBVQLPTCMVFO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 535-15-9

CID: 10808

Formula: C4H6Cl2O2

MW: 156.99

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.99
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	155.9744848
Monoisotopic Mass	155.9744848
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	82.1
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
sc-255292	Methyl dichloroacetate
sc-495460	Diisopropylammonium dichloroacetate
sc-203275	Sodium dichloroacetate
sc-203275A	Sodium dichloroacetate
sc-474166	Sodium Dichloroacetate-13C2
sc-353430A	Ethyl 2-ethyl-5-nitronicotinate
sc-486835	Ethyl 2-ethyl-2-methylacetoacetate
sc-307902	(2-Ethoxy-ethyl) -ethyl-amine
sc-353430	Ethyl 2-ethyl-5-nitronicotinate
sc-294494A	Ethyl (S) - (-) -1-Ethyl-2-pyrrolidinecarboxylate

Catalog	Name
RG-A261859-01	Ethyl Dichloroacetate
FS63157-01	Sodium dichloroacetate
273571-01	Diisopropylammonium dichloroacetate
MBS5814287	Diisopropylamine dichloroacetate
GTR19223765-01	Butyl dichloroacetate
UAA55959-01	Potassium dichloroacetate
MBS3608234-01	Sodium Dichloroacetate
GTR19159872-01	Sodium?Dichloroacetate
HY-B2210-01	Diisopropylammonium (dichloroacetate)
M15770	Methyl dichloroacetate