| CAS Number | 203207-18-5 |
| Catalog Number | AG00J2Y0(AGN-PC-0N9Y73) |
| Chemical Name | Methyl 4-bromo-5-methyl-1H-pyrrole-2-carboxylate |
| IUPAC Name | methyl 4-bromo-5-methyl-1H-pyrrole-2-carboxylate |
| InChI | InChI=1S/C7H8BrNO2/c1-4-5(8)3-6(9-4)7(10)11-2/h3,9H,1-2H3 |
| InChI Key | AEBHESQQSGQNLZ-UHFFFAOYSA-N |
| MDL Number | MFCD24557994 |
| Molecular Formula | C7H8BrNO2 |
| Molecular Weight | 218.0479 |
| SMILES | CC1=C(C=C(N1)C(=O)OC)Br |
| Synonyms | Methyl 4-bromo-5-methyl-1H-pyrrole-2-carboxylate,
203207-18-5,
4-Bromo-2-carbomethoxy-5-methylpyrrol,
SCHEMBL17130065,
MFCD24557994,
STL412437,
ZINC34431572,
AKOS022060364,
MCULE-7221616678,
A-6950,
CID10751271,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.05g/mol |
| Monoisotopic Mass | 216.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number