| CAS Number | 315663-65-1 |
| Catalog Number | AG019KBP |
| Chemical Name | ethyl 4-(2-chloroacetyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| IUPAC Name | ethyl 4-(2-chloroacetyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| InChI | InChI=1S/C11H14ClNO3/c1-4-16-11(15)10-6(2)9(7(3)13-10)8(14)5-12/h13H,4-5H2,1-3H3 |
| InChI Key | QQCNATJRDMZOCR-UHFFFAOYSA-N |
| MDL Number | MFCD08691283 |
| Molecular Formula | C11H14ClNO3 |
| Molecular Weight | 243.6868 |
| SMILES | CCOC(C1=C(C)C(C(CCl)=O)=C(C)N1)=O |
| Synonyms | Ethyl 4-(2-chloroacetyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate,
315663-65-1,
ethyl 4-(chloroacetyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate,
AC1Q328Q,
CTK6F4641,
ZINC9458179,
AKOS008083511,
MCULE-9965728447,
NE36979,
EN300-26313,
4-(Chloroacetyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester,
CID11184119,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.687g/mol |
| Monoisotopic Mass | 243.066g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 59.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number