| CAS Number | 1315365-45-7 |
| Catalog Number | AG01AIYW(AGN-PC-0WO243) |
| Chemical Name | METHYL 4-BROMO-5-FORMYL-1-METHYL-1H-PYRROLE-2-CARBOXYLATE |
| IUPAC Name | methyl 4-bromo-5-formyl-1-methylpyrrole-2-carboxylate |
| InChI | InChI=1S/C8H8BrNO3/c1-10-6(8(12)13-2)3-5(9)7(10)4-11/h3-4H,1-2H3 |
| InChI Key | OEBCRHVYOBLHGD-UHFFFAOYSA-N |
| MDL Number | MFCD19381978 |
| Molecular Formula | C8H8BrNO3 |
| Molecular Weight | 246.0580 |
| SMILES | O=C(C1=CC(Br)=C(C=O)N1C)OC |
| Synonyms | methyl 4-bromo-5-formyl-1-methyl-1H-pyrrole-2-carboxylate,
1315365-45-7,
ZINC68593531,
AKOS026726771,
NE50342,
EN300-79382,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.06g/mol |
| Monoisotopic Mass | 244.969g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number