| CAS Number | 710349-38-5 |
| Catalog Number | AG01AJPF(AGN-PC-0WO5EB) |
| Chemical Name | 8-fluoro-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one |
| IUPAC Name | 7-fluoro-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one |
| InChI | InChI=1S/C9H9FN2O/c10-6-1-2-7-8(5-6)12-9(13)3-4-11-7/h1-2,5,11H,3-4H2,(H,12,13) |
| InChI Key | KYBBJAIANVVYSG-UHFFFAOYSA-N |
| MDL Number | MFCD19686314 |
| Molecular Formula | C9H9FN2O |
| Molecular Weight | 180.1790 |
| SMILES | FC1=CC2=C(NCCC(N2)=O)C=C1 |
| Synonyms | 8-fluoro-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one,
710349-38-5,
ZINC68576340,
AKOS017497366,
MCULE-6578784484,
NE39894,
EN300-81637,
Z1250222488,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.182g/mol |
| Monoisotopic Mass | 180.07g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number