| CAS Number | 394-65-0 |
| Catalog Number | AG00C7IB |
| Chemical Name | 1-Fluoroisoquinoline |
| IUPAC Name | 1-fluoroisoquinoline |
| InChI | InChI=1S/C9H6FN/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H |
| InChI Key | YYMRKWBKEKCKHM-UHFFFAOYSA-N |
| MDL Number | MFCD11865307 |
| Molecular Formula | C9H6FN |
| Molecular Weight | 147.1490 |
| SMILES | FC1=C2C(C=CC=C2)=CC=N1 |
| Synonyms | 1-fluoroisoquinoline,
isoquinoline, 1-fluoro-,
394-65-0,
AC1LD1UX,
SCHEMBL1741872,
ZINC24631441,
FT-0721536,
InChI=1/C9H6FN/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6,
fluoroisoquinoline,
CID640962,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 147.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 147.152g/mol |
| Monoisotopic Mass | 147.048g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number