| CAS Number | 857809-64-4 |
| Catalog Number | AG019PCA |
| Chemical Name | 5,6-Dibromo-1H-indole-3-carboxylic acid |
| IUPAC Name | 5,6-dibromo-1H-indole-3-carboxylic acid |
| InChI | InChI=1S/C9H5Br2NO2/c10-6-1-4-5(9(13)14)3-12-8(4)2-7(6)11/h1-3,12H,(H,13,14) |
| InChI Key | ZUKDDHPPAUVCRA-UHFFFAOYSA-N |
| MDL Number | MFCD08271830 |
| Molecular Formula | C9H5Br2NO2 |
| Molecular Weight | 318.9495 |
| SMILES | BrC=1C=C2C(=CNC2=CC1Br)C(=O)O |
| Synonyms | 5,6-dibromo-1H-indole-3-carboxylic Acid,
857809-64-4,
AC1OFMB6,
AC1Q740S,
CTK7I6377,
ZINC4219119,
AKOS033222395,
MCULE-9609716872,
NE45573,
EN300-23187,
Z1270312122,
CID7131815,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.867g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.952g/mol |
| Monoisotopic Mass | 316.869g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number