| CAS Number | 1508295-22-4 |
| Catalog Number | AG00HXTQ |
| Chemical Name | 4-fluoro-6-nitroisoquinolin-1-ol |
| IUPAC Name | 4-fluoro-6-nitro-2H-isoquinolin-1-one |
| InChI | InChI=1S/C9H5FN2O3/c10-8-4-11-9(13)6-2-1-5(12(14)15)3-7(6)8/h1-4H,(H,11,13) |
| InChI Key | OUIGMPDTRBYKJN-UHFFFAOYSA-N |
| MDL Number | MFCD28502459 |
| Molecular Formula | C9H5FN2O3 |
| Molecular Weight | 208.1460 |
| SMILES | O=[N+]([O-])c1ccc2c(O)ncc(F)c2c1 |
| Synonyms | 4-Fluoro-6-nitroisoquinolin-1-ol,
1508295-22-4,
1(2H)-Isoquinolinone, 4-fluoro-6-nitro-,
SCHEMBL16293438,
SCHEMBL16744589,
OUIGMPDTRBYKJN-UHFFFAOYSA-N,
4-Fluoro-6-nitro-isoquinolin-1-ol,
MFCD28502459,
ZINC261508009,
4-fluoro-6-nitro-2H-isoquinolin-1-one,
4-Fluoro-6-nitroisoquinolin-1(2H)-one,
AS-52391,
CS-0050851,
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| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.148g/mol |
| Monoisotopic Mass | 208.028g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number