| CAS Number | 1369177-56-9 |
| Catalog Number | AG01B52K |
| Chemical Name | 5-Fluoroisoquinoline-8-carboxylic acid |
| IUPAC Name | 5-fluoroisoquinoline-8-carboxylic acid |
| InChI | InChI=1S/C10H6FNO2/c11-9-2-1-7(10(13)14)8-5-12-4-3-6(8)9/h1-5H,(H,13,14) |
| InChI Key | ZMLXSVJDCTXDNK-UHFFFAOYSA-N |
| MDL Number | MFCD26667638 |
| Molecular Formula | C10H6FNO2 |
| Molecular Weight | 191.1585 |
| SMILES | FC1=C2C=CN=CC2=C(C=C1)C(=O)O |
| Synonyms | 5-fluoroisoquinoline-8-carboxylic acid,
1369177-56-9,
ZINC82769935,
AKOS022883001,
Z2512942907,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.161g/mol |
| Monoisotopic Mass | 191.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number