| CAS Number | 1895191-24-8 |
| Catalog Number | AG019YS3 |
| Chemical Name | 5,8-Difluoroisoquinoline |
| IUPAC Name | 5,8-difluoroisoquinoline |
| InChI | InChI=1S/C9H5F2N/c10-8-1-2-9(11)7-5-12-4-3-6(7)8/h1-5H |
| InChI Key | HYDINNNEIGYBSW-UHFFFAOYSA-N |
| MDL Number | MFCD29991227 |
| Molecular Formula | C9H5F2N |
| Molecular Weight | 165.1395 |
| SMILES | FC1=C2C=CN=CC2=C(C=C1)F |
| Synonyms | 5,8-difluoroisoquinoline,
1895191-24-8,
ZINC257968274,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.143g/mol |
| Monoisotopic Mass | 165.039g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number