| CAS Number | 1469867-51-3 |
| Catalog Number | AG01B8QO |
| Chemical Name | 5-fluoro-1,3-dimethyl-6-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one |
| IUPAC Name | 5-fluoro-1,3-dimethyl-6-nitrobenzimidazol-2-one |
| InChI | InChI=1S/C9H8FN3O3/c1-11-7-3-5(10)6(13(15)16)4-8(7)12(2)9(11)14/h3-4H,1-2H3 |
| InChI Key | WVDJOIQJDAGXMP-UHFFFAOYSA-N |
| MDL Number | MFCD28246596 |
| Molecular Formula | C9H8FN3O3 |
| Molecular Weight | 225.1765 |
| SMILES | O=C1N(C)C2=CC([N+]([O-])=O)=C(F)C=C2N1C |
| Synonyms | 5-fluoro-1,3-dimethyl-6-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one,
1469867-51-3,
SCHEMBL15324212,
WVDJOIQJDAGXMP-UHFFFAOYSA-N,
ZINC216718680,
EN300-201970,
5-fluoro-1,3-dimethyl-6-nitro-1,3-dihydro-2H-benzimidazol-2-one,
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.179g/mol |
| Monoisotopic Mass | 225.055g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 69.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number