Diethyl (p-chlorophenyl) malonate

CAT: 0127-OR76017-01Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR76017-01Size:1 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

19677-37-3

MDL Number

MFCD06204602

Purity

98%

Smiles

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

Chemical Information

Diethyl 2-(4-chlorophenyl)malonate

CAS Number	19677-37-3
PubChem CID	267418
IUPAC Name	diethyl 2-(4-chlorophenyl)propanedioate
Molecular Formula	C13H15ClO4
Molecular Weight	270.71
XLogP	3.2
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	18
Formal Charge	0
Complexity	267

SMILES

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

InChI

InChI=1S/C13H15ClO4/c1-3-17-12(15)11(13(16)18-4-2)9-5-7-10(14)8-6-9/h5-8,11H,3-4H2,1-2H3

InChIKey

PPESOPZGUSEQSO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19677-37-3

CID: 267418

Formula: C13H15ClO4

MW: 270.71

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	270.71
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	270.0658866
Monoisotopic Mass	270.0658866
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	267
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
OR1354-01	Diethyl malonate
OR1012858-01	Diethyl 2- (((3-Chlorophenyl) Amino) Methylene) Malonate
OR30384	Diethyl 2- (dimethylamino) malonate
OR300758-01	Diethyl 2- (phenylamino) malonate
OR73263-01	Diethyl 2- (aminomethylene) malonate
OR1078578-01	Diethyl (5-Bromopentyl) malonate
OR84956	Diethyl 2- (benzyloxy) malonate
PC1003922-01	Diethyl (4-fluorobenzoyl) malonate
OR1321-01	Diethyl- (2-bromoethyl) malonate
OR1004226-01	Diethyl (3-methylbutyl) malonate

Catalog	Name
sc-234639	Diethyl 2- (p-tolyl) malonate
sc-326795	Diethyl 2-[{[ (benzyloxy) carbonyl]amino}- (3-chlorophenyl) methyl]malonate
TRC-D326025-250MG	Diethyl (S)-2-(2-(p-Tolyl)propyl)malonate
sc-263089A	Diethyl 2-{2-[4- (3-benzyloxyphenylsulfanyl) -2-chlorophenyl]-ethyl}-2-fluoro-malonate
604004	DIETHYL MALONATE
163806	Diethyl Malonate-13C2
TRC-D444424-5G	Diethyl Malonate-d2
TRC-B802500-2.5G	Butyronitrile Diethyl Malonate
MBS6103118-01	Diethyl Malonate-13C3
D23520-01	Diethyl malonate 99%