| CAS Number | 1186194-50-2 |
| Catalog Number | AG00HEMY(AGN-PC-0WCXAA) |
| Chemical Name | Diethyl 3,5-dichlorophenyl malonate |
| IUPAC Name | diethyl 2-(3,5-dichlorophenyl)propanedioate |
| InChI | InChI=1S/C13H14Cl2O4/c1-3-18-12(16)11(13(17)19-4-2)8-5-9(14)7-10(15)6-8/h5-7,11H,3-4H2,1-2H3 |
| InChI Key | XMEBTNUDNVIYJG-UHFFFAOYSA-N |
| MDL Number | MFCD09037803 |
| Molecular Formula | C13H14Cl2O4 |
| Molecular Weight | 305.1539 |
| SMILES | O=C(OCC)C(C1=CC(Cl)=CC(Cl)=C1)C(OCC)=O |
| Synonyms | 1186194-50-2,
Diethyl 2-(3,5-dichlorophenyl)malonate,
1,3-diethyl 2-(3,5-dichlorophenyl)propanedioate,
Diethyl 3,5-dichlorophenyl malonate,
SCHEMBL1433931,
MFCD09037803,
ZINC96102477,
AKOS005255209,
AK171186,
AS-50597,
CS-0052742,
KS-00000525,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.151g/mol |
| Monoisotopic Mass | 304.027g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number