| CAS Number | 1809018-61-8 |
| Catalog Number | AG01ELPK |
| Chemical Name | 6-fluoro-7-nitro-1,2,3,4-tetrahydroisoquinolin-1-one |
| IUPAC Name | 6-fluoro-7-nitro-3,4-dihydro-2H-isoquinolin-1-one |
| InChI | InChI=1S/C9H7FN2O3/c10-7-3-5-1-2-11-9(13)6(5)4-8(7)12(14)15/h3-4H,1-2H2,(H,11,13) |
| InChI Key | QHGDIVMTVIOPDQ-UHFFFAOYSA-N |
| MDL Number | MFCD31617681 |
| Molecular Formula | C9H7FN2O3 |
| Molecular Weight | 210.1619 |
| SMILES | FC=1C=C2CCNC(C2=CC1[N+](=O)[O-])=O |
| Synonyms | SCHEMBL17064696,
6-fluoro-7-nitro-1,2,3,4-tetrahydroisoquinolin-1-one,
1809018-61-8,
CID10727139,
6-fluoro-7-nitro-3,4-dihydro-2H-isoquinolin-1-one,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.164g/mol |
| Monoisotopic Mass | 210.044g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number