| CAS Number | 1841079-94-4 |
| Catalog Number | AG01ELH2 |
| Chemical Name | 3-chloro-6-fluoro-5-nitroisoquinoline |
| IUPAC Name | 3-chloro-6-fluoro-5-nitroisoquinoline |
| InChI | InChI=1S/C9H4ClFN2O2/c10-8-3-6-5(4-12-8)1-2-7(11)9(6)13(14)15/h1-4H |
| InChI Key | UVLNEBQKDGWLOX-UHFFFAOYSA-N |
| MDL Number | MFCD31556546 |
| Molecular Formula | C9H4ClFN2O2 |
| Molecular Weight | 226.5917 |
| SMILES | [O-][N+](C1=C2C(C=NC(=C2)Cl)=CC=C1F)=O |
| Synonyms | 3-CHLORO-6-FLUORO-5-NITROISOQUINOLINE,
SCHEMBL17336654,
1841079-94-4,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.591g/mol |
| Monoisotopic Mass | 225.995g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 58.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number