| CAS Number | 918490-54-7 |
| Catalog Number | AG01BF7X |
| Chemical Name | 6-Fluoro-5-nitroisoquinoline |
| IUPAC Name | 6-fluoro-5-nitroisoquinoline |
| InChI | InChI=1S/C9H5FN2O2/c10-8-2-1-6-5-11-4-3-7(6)9(8)12(13)14/h1-5H |
| InChI Key | ZWEFZZDPYSVNLL-UHFFFAOYSA-N |
| MDL Number | MFCD27932779 |
| Molecular Formula | C9H5FN2O2 |
| Molecular Weight | 192.1466 |
| SMILES | FC=1C(=C2C=CN=CC2=CC1)[N+](=O)[O-] |
| Synonyms | 6-fluoro-5-nitroisoquinoline,
918490-54-7,
Isoquinoline, 6-fluoro-5-nitro-,
6-Fluoro-5-nitro-isoquinoline,
SCHEMBL2502319,
ZWEFZZDPYSVNLL-UHFFFAOYSA-N,
ZINC59209288,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.149g/mol |
| Monoisotopic Mass | 192.034g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 58.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number