| CAS Number | 731815-67-1 |
| Catalog Number | AG019IOI |
| Chemical Name | methyl 5-(2-chloropropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| IUPAC Name | methyl 5-(2-chloropropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| InChI | InChI=1S/C11H14ClNO3/c1-5-8(11(15)16-4)7(3)13-9(5)10(14)6(2)12/h6,13H,1-4H3 |
| InChI Key | DBNMDTVKDWABTM-UHFFFAOYSA-N |
| MDL Number | MFCD04627903 |
| Molecular Formula | C11H14ClNO3 |
| Molecular Weight | 243.6868 |
| SMILES | COC(C1C(C)=C(C(C(Cl)C)=O)NC=1C)=O |
| Synonyms | methyl 5-(2-chloropropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate,
731815-67-1,
AC1MVQP3,
AC1Q424Q,
CTK6I8500,
AKOS000117184,
AKOS023867351,
MCULE-7377168541,
NE29065,
NCGC00323127-01,
EN300-07297,
AB01318746-02,
SR-01000048100,
SR-01000048100-1,
ZINC03293371,
CID3737139,
|
| Complexity | 295 |
| 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 | 4 |
| Topological Polar Surface Area | 59.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number