| CAS Number | 1602501-66-5 |
| Catalog Number | AG01BI3R |
| Chemical Name | 1-Chloro-6,7-difluoroisoquinoline |
| IUPAC Name | 1-chloro-6,7-difluoroisoquinoline |
| InChI | InChI=1S/C9H4ClF2N/c10-9-6-4-8(12)7(11)3-5(6)1-2-13-9/h1-4H |
| InChI Key | IHICZXCSZNKBFE-UHFFFAOYSA-N |
| MDL Number | MFCD30734096 |
| Molecular Formula | C9H4ClF2N |
| Molecular Weight | 199.5846 |
| SMILES | ClC1=NC=CC2=CC(=C(C=C12)F)F |
| Synonyms | 1-chloro-6,7-difluoroisoquinoline,
1602501-66-5,
ZINC125293875,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.585g/mol |
| Monoisotopic Mass | 199g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number