| CAS Number | 99066-64-5 |
| Catalog Number | AG01A2ZX(AGN-PC-0WO66E) |
| Chemical Name | 5-Iodo-1H-indole-2-carboxylic acid |
| IUPAC Name | 5-iodo-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C9H6INO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13) |
| InChI Key | VFNFKMFTFFMIRW-UHFFFAOYSA-N |
| MDL Number | MFCD06407624 |
| Molecular Formula | C9H6INO2 |
| Molecular Weight | 287.0539 |
| SMILES | IC=1C=C2C=C(NC2=CC1)C(=O)O |
| Synonyms | 5-iodo-1H-indole-2-carboxylic Acid,
99066-64-5,
AC1M0MJG,
SCHEMBL2730500,
ZINC2432858,
AKOS022254430,
MCULE-8041395933,
NE61021,
Z1696822310,
CID2029102,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.056g/mol |
| Monoisotopic Mass | 286.944g/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