| CAS Number | 1934445-70-1 |
| Catalog Number | AG01EH5O |
| Chemical Name | 3-Iodoquinoline-8-carboxylic acid |
| IUPAC Name | 3-iodoquinoline-8-carboxylic acid |
| InChI | InChI=1S/C10H6INO2/c11-7-4-6-2-1-3-8(10(13)14)9(6)12-5-7/h1-5H,(H,13,14) |
| InChI Key | ALDCJZVVFAFTCW-UHFFFAOYSA-N |
| MDL Number | MFCD29959008 |
| Molecular Formula | C10H6INO2 |
| Molecular Weight | 299.0646 |
| SMILES | OC(C1=C2C(C=C(C=N2)I)=CC=C1)=O |
| Synonyms | 3-Iodoquinoline-8-carboxylic acid,
1934445-70-1,
CS-0081778,
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| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.067g/mol |
| Monoisotopic Mass | 298.944g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number