| CAS Number | 1515982-14-5 |
| Catalog Number | AG01DVHO |
| Chemical Name | 5-Bromo-1-Methyl-1H-Pyrrole-3-Carboxylic Acid |
| IUPAC Name | 5-bromo-1-methylpyrrole-3-carboxylic acid |
| InChI | InChI=1S/C6H6BrNO2/c1-8-3-4(6(9)10)2-5(8)7/h2-3H,1H3,(H,9,10) |
| InChI Key | AKKMKWRLBFUUMQ-UHFFFAOYSA-N |
| MDL Number | MFCD21798894 |
| Molecular Formula | C6H6BrNO2 |
| Molecular Weight | 204.0213 |
| SMILES | BrC1=CC(=CN1C)C(=O)O |
| Synonyms | 5-bromo-1-methyl-1H-pyrrole-3-carboxylic acid,
1515982-14-5,
SCHEMBL18348294,
AKOS017664370,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.023g/mol |
| Monoisotopic Mass | 202.958g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number