| CAS Number | 630422-98-9 |
| Catalog Number | AG01A2LA(AGN-PC-03H96D) |
| Chemical Name | 7-Fluoro-6-methoxy-1(2H)-isoquinolinone |
| IUPAC Name | 7-fluoro-6-methoxy-2H-isoquinolin-1-one |
| InChI | InChI=1S/C10H8FNO2/c1-14-9-4-6-2-3-12-10(13)7(6)5-8(9)11/h2-5H,1H3,(H,12,13) |
| InChI Key | MNYLLSMVYDGHNO-UHFFFAOYSA-N |
| MDL Number | MFCD24445753 |
| Molecular Formula | C10H8FNO2 |
| Molecular Weight | 193.1744 |
| SMILES | O=C1NC=CC=2C=C(OC)C(F)=CC12 |
| Synonyms | 7-FLUORO-6-METHOXYISOQUINOLIN-1(2H)-ONE,
630422-98-9,
7-fluoro-6-methoxyisoquinolin-1-ol,
1(2H)-Isoquinolinone, 7-fluoro-6-methoxy-,
SCHEMBL1536435,
SCHEMBL13830405,
MNYLLSMVYDGHNO-UHFFFAOYSA-N,
MFCD24445753,
ZINC71482391,
AKOS022530742,
AKOS027324686,
MCULE-9437305427,
NE44835,
AS-38991,
7-Fluoro-6-methoxy-2H-isoquinolin-1-one,
Y1928,
C10H8FNO2,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.177g/mol |
| Monoisotopic Mass | 193.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number