| CAS Number | 1655490-79-1 |
| Catalog Number | AG00AQFV |
| Chemical Name | 4,5-Diazafluorene-9-one O-(p-Toluenesulfonyl)oxime |
| IUPAC Name | (3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ylideneamino) 4-methylbenzenesulfonate |
| InChI | InChI=1S/C18H13N3O3S/c1-12-6-8-13(9-7-12)25(22,23)24-21-16-14-4-2-10-19-17(14)18-15(16)5-3-11-20-18/h2-11H,1H3 |
| InChI Key | UWCROCJSYGJGEJ-UHFFFAOYSA-N |
| MDL Number | MFCD28976163 |
| Molecular Formula | C18H13N3O3S |
| Molecular Weight | 351.3791 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)ON=C1C2=CC=CN=C2C2=NC=CC=C12 |
| Synonyms | 4,5-Diazafluorene-9-one O-(p-Toluenesulfonyl)oxime,
1655490-79-1,
MFCD28976163,
ZINC263618658,
4,5-Diazafluorene-9-one O-Tosyloxime,
D4636,
5H-Cyclopenta[2,1-b:3,4-b']dipyridine-5-one O-(4-methylphenylsulfonyl)oxime,
|
| Complexity | 584 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 351.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 351.38g/mol |
| Monoisotopic Mass | 351.068g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 89.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number