Dimethyl 2- (4-chlorophenyl) propanedioate

CAT: 1731-GT HW 3636-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:1731-GT HW 3636-01Size:1 mg

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CAS Number

34402-92-1

MDL Number

MFCD05666042

Purity

0.95

Smiles

COC (=O) C (C (=O) OC) c1ccc (Cl) cc1

Shipping Conditions

Room temperature, no cold chain required

Chemical Information

1,3-Dimethyl 2-(4-chlorophenyl)propanedioate

CAS Number	34402-92-1
PubChem CID	2785147
IUPAC Name	dimethyl 2-(4-chlorophenyl)propanedioate
Molecular Formula	C11H11ClO4
Molecular Weight	242.65
XLogP	2.5
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	16
Formal Charge	0
Complexity	243

SMILES

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

InChI

InChI=1S/C11H11ClO4/c1-15-10(13)9(11(14)16-2)7-3-5-8(12)6-4-7/h3-6,9H,1-2H3

InChIKey

CYPPECTXRWWSQY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 34402-92-1

CID: 2785147

Formula: C11H11ClO4

MW: 242.65

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	242.65
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	242.0345865
Monoisotopic Mass	242.0345865
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	243
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
AL BF 1248-01	Dimethyl 2- (3-chlorophenyl) propanedioate
AL BI 0611-01	Diethyl 2- (4-chlorophenyl) propanedioate
AL BF 1373-01	Dimethyl 2- (4-phenylphenyl) propanedioate
AL BF 1371-01	Dimethyl 2- (3-bromophenyl) propanedioate
AK HB 0210-01	Diethyl 2-[[ (4,6-dimethyl-2-pyridinyl) amino]methylidene]propanedioate
FH 1W 0022-01	Diethyl 2-[ (4-bromo-3,6-dimethyl-2-nitrophenyl) hydrazinylidene]propanedioate
AL BI 1251-01	Diethyl 2- (4-fluorophenyl) propanedioate
AL BI 1252-01	Diethyl 2- (4-nitrophenyl) propanedioate
AL BI 1249-01	Diethyl 2- (3,4-dichlorophenyl) propanedioate
AK HB 0084-01	Diethyl 2-[ (4-ethoxycarbonylanilino) methylidene]propanedioate

Catalog	Name
JBA40292-01	1,3-Dimethyl 2- (4-chlorophenyl) propanedioate
HEA85560-01	1,3-Dimethyl 2- (3-chlorophenyl) propanedioate
OR96419-01	1,3-Dimethyl 2- (4-methoxyphenyl) propanedioate
ZFA50635	1,3-dimethyl 2- (4-bromophenyl) propanedioate
411096-01	1,3-Dimethyl 2- (2-amino-4-cyanophenyl) propanedioate
TRC-D476668-1G	1,3-Dimethyl 2-[4-(methoxycarbonyl)-2-nitrophenyl]propanedioate
411103-01	1,3-Dimethyl 2-[4- (methoxycarbonyl) -2-nitrophenyl]propanedioate
411097-01	1,3-Dimethyl 2- (2-amino-4-methanesulfonylphenyl) propanedioate
sc-345187A	1,3-dimethyl 2-[2-nitro-4- (trifluoromethyl) phenyl]propanedioate
411102-01	1,3-Dimethyl 2-[2-amino-4- (trifluoromethyl) phenyl]propanedioate