| CAS Number | 850340-95-3 |
| Catalog Number | AG00GDRI(AGN-PC-07ATTV) |
| Chemical Name | 7-Fluoro-6-hydroxyisoquinolin-1(2H)-one |
| IUPAC Name | 7-fluoro-6-hydroxy-2H-isoquinolin-1-one |
| InChI | InChI=1S/C9H6FNO2/c10-7-4-6-5(3-8(7)12)1-2-11-9(6)13/h1-4,12H,(H,11,13) |
| InChI Key | UMMHPVHCEPFMFM-UHFFFAOYSA-N |
| MDL Number | MFCD17017944 |
| Molecular Formula | C9H6FNO2 |
| Molecular Weight | 179.1478 |
| SMILES | OC1=C(F)C=C2C(C=CNC2=O)=C1 |
| Synonyms | 850340-95-3,
7-fluoro-6-hydroxyisoquinolin-1(2H)-one,
7-fluoro-6-hydroxy-1,2-dihydroisoquinolin-1-one,
SCHEMBL16294011,
UMMHPVHCEPFMFM-UHFFFAOYSA-N,
ZINC39128418,
AKOS026727955,
MCULE-9835874093,
1(2h)-isoquinolinone,7-fluoro-6-hydroxy-,
1 -Isoquinolinone,7-fluoro-6-hydroxy-,
1(2H)-Isoquinolinone, 7-fluoro-6-hydroxy-,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.15g/mol |
| Monoisotopic Mass | 179.038g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number