| CAS Number | 1190847-04-1 |
| Catalog Number | AG0092OB |
| Chemical Name | 5-Iodo-1H-indole-3-carboxylic acid |
| IUPAC Name | 5-iodo-1H-indole-3-carboxylic acid |
| InChI | InChI=1S/C9H6INO2/c10-5-1-2-8-6(3-5)7(4-11-8)9(12)13/h1-4,11H,(H,12,13) |
| InChI Key | ALHAYYZMAAKVSE-UHFFFAOYSA-N |
| MDL Number | MFCD15474905 |
| Molecular Formula | C9H6INO2 |
| Molecular Weight | 287.0539 |
| SMILES | IC=1C=C2C(=CNC2=CC1)C(=O)O |
| Synonyms | 5-IODO-1H-INDOLE-3-CARBOXYLIC ACID,
1190847-04-1,
1H-Indole-3-carboxylic acid, 5-iodo-,
SCHEMBL4234237,
ALHAYYZMAAKVSE-UHFFFAOYSA-N,
MFCD15474905,
CS-0060091,
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| 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 | 2.6 |
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Certificate of Analysis
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