| CAS Number | 1502169-97-2 |
| Catalog Number | AG01DVF5 |
| Chemical Name | 3-bromo-5-(1H-pyrrol-1-yl)benzoic acid |
| IUPAC Name | 3-bromo-5-pyrrol-1-ylbenzoic acid |
| InChI | InChI=1S/C11H8BrNO2/c12-9-5-8(11(14)15)6-10(7-9)13-3-1-2-4-13/h1-7H,(H,14,15) |
| InChI Key | JAMBJPQTSHCOGM-UHFFFAOYSA-N |
| MDL Number | MFCD24125724 |
| Molecular Formula | C11H8BrNO2 |
| Molecular Weight | 266.0907 |
| SMILES | OC(C1=CC(N2C=CC=C2)=CC(Br)=C1)=O |
| Synonyms | 3-bromo-5-(1H-pyrrol-1-yl)benzoic acid,
1502169-97-2,
AKOS020140257,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.094g/mol |
| Monoisotopic Mass | 264.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number