| CAS Number | 383133-30-0 |
| Catalog Number | AG01C1YM |
| Chemical Name | 4-bromo-7-chloro-1H-indole-2-carboxylic acid |
| IUPAC Name | 4-bromo-7-chloro-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C9H5BrClNO2/c10-5-1-2-6(11)8-4(5)3-7(12-8)9(13)14/h1-3,12H,(H,13,14) |
| InChI Key | PCWJJIDVAUSXQO-UHFFFAOYSA-N |
| MDL Number | MFCD28366114 |
| Molecular Formula | C9H5BrClNO2 |
| Molecular Weight | 274.4985 |
| SMILES | OC(C1NC2=C(C(=CC=C2Cl)Br)C=1)=O |
| Synonyms | 4-bromo-7-chloro-1H-indole-2-carboxylic acid,
383133-30-0,
ZINC85220066,
AKOS015502175,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.919g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.498g/mol |
| Monoisotopic Mass | 272.919g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number