| CAS Number | 1036390-58-5 |
| Catalog Number | AG00HA4T(AGN-PC-0WQX4C) |
| Chemical Name | 7-Amino-4-fluoro-1(2H)-isoquinolinone |
| IUPAC Name | 7-amino-4-fluoro-2H-isoquinolin-1-one |
| InChI | InChI=1S/C9H7FN2O/c10-8-4-12-9(13)7-3-5(11)1-2-6(7)8/h1-4H,11H2,(H,12,13) |
| InChI Key | PAEMWNBWAKIGLQ-UHFFFAOYSA-N |
| MDL Number | MFCD19704539 |
| Molecular Formula | C9H7FN2O |
| Molecular Weight | 178.1631 |
| SMILES | NC1=CC2=C(C=C1)C(F)=CNC2=O |
| Synonyms | 7-AMINO-4-FLUORO-1(2H)-ISOQUINOLINONE,
1036390-58-5,
7-amino-4-fluoroisoquinolin-1(2h)-one,
SCHEMBL3312070,
DTXSID40731225,
MFCD19704539,
VT1426,
ZINC95831118,
AS-54760,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.166g/mol |
| Monoisotopic Mass | 178.054g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number