Diethyl chloromalonate

CAT: 0024-sc-227841Size: 5 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-227841Size:5 mL

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CAS Number

14064-10-9

Chemical Information

Diethyl chloromalonate

CAS Number	14064-10-9
PubChem CID	84182
IUPAC Name	diethyl 2-chloropropanedioate
Molecular Formula	C7H11ClO4
Molecular Weight	194.61
XLogP	1.6
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	12
Formal Charge	0
Complexity	151

SMILES

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

InChI

InChI=1S/C7H11ClO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3

InChIKey

WLWCQKMQYZFTDR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14064-10-9

CID: 84182

Formula: C7H11ClO4

MW: 194.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.61
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	194.0345865
Monoisotopic Mass	194.0345865
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	151
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-239771	Dimethyl chloromalonate
sc-396027	Diethyl Chloromaleate
sc-202574A	Diethyl Pyrocarbonate
sc-257337	Diethyl ketomalonate
sc-257343	Diethyl oxalpropionate
sc-239742	Diethyl vinylphosphonate
sc-239738	Diethyl phthalate
sc-486313	Diethyl sulfite
sc-239729	Diethyl cyanomethylphosphonate
sc-357334	Diethyl cromoglycate

Catalog	Name
TRC-D444060-5G	Diethyl Chloromalonate
TRC-D444062-25MG	Diethyl Chloromalonate-D1
OR2336-01	Dimethyl 2-chloromalonate
TRC-P359432-10MG	Diethyl phosphate-d10 (diethyl-d10)
D24360-01	Diethyl phosphonacetaldehyde diethyl acetal 98%
B9076	Butyronitrile Diethyl Malonate (Diethyl-3-cyanopropylmalonate)
070975	Diethyl Carbamyl Chloride (Diethyl Carbamoyl Chloride)
C6538-500	Diethyl fumarate
BA8017-25	Diethyl-pythiDC
QAA30097-01	Diethyl acetoxyethylphosphonate