| CAS Number | 1784400-97-0 |
| Catalog Number | AG01C21O |
| Chemical Name | 2-bromo-5H,6H,7H-pyrrolo[1,2-a]imidazole-3-carboxylic acid |
| IUPAC Name | 2-bromo-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid |
| InChI | InChI=1S/C7H7BrN2O2/c8-6-5(7(11)12)10-3-1-2-4(10)9-6/h1-3H2,(H,11,12) |
| InChI Key | KKXWEZIFEKIZOD-UHFFFAOYSA-N |
| MDL Number | MFCD29047537 |
| Molecular Formula | C7H7BrN2O2 |
| Molecular Weight | 231.0467 |
| SMILES | OC(C1N2C(CCC2)=NC=1Br)=O |
| Synonyms | 1784400-97-0,
2-bromo-5H,6H,7H-pyrrolo[1,2-a]imidazole-3-carboxylic acid,
AKOS023787536,
ZINC212251979,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.049g/mol |
| Monoisotopic Mass | 229.969g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number