| CAS Number | 1803602-03-0 |
| Catalog Number | AG01B8NK |
| Chemical Name | 5-fluoro-1,3-dimethyl-4,6-dinitro-2,3-dihydro-1H-1,3-benzodiazol-2-one |
| IUPAC Name | 5-fluoro-1,3-dimethyl-4,6-dinitrobenzimidazol-2-one |
| InChI | InChI=1S/C9H7FN4O5/c1-11-5-3-4(13(16)17)6(10)8(14(18)19)7(5)12(2)9(11)15/h3H,1-2H3 |
| InChI Key | BOALPRNJEBLOPB-UHFFFAOYSA-N |
| MDL Number | MFCD28246574 |
| Molecular Formula | C9H7FN4O5 |
| Molecular Weight | 270.1741 |
| SMILES | CN1C2=C(C(=C(C([N+]([O-])=O)=C2)F)[N+]([O-])=O)N(C)C1=O |
| Synonyms | 5-fluoro-1,3-dimethyl-4,6-dinitro-2,3-dihydro-1H-1,3-benzodiazol-2-one,
1803602-03-0,
ZINC216718264,
|
| Complexity | 435 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.176g/mol |
| Monoisotopic Mass | 270.04g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number