| CAS Number | 1384431-51-9 |
| Catalog Number | AG019SNP |
| Chemical Name | 2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride |
| IUPAC Name | 2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride |
| InChI | InChI=1S/C7H4ClN3O4S/c8-16(14,15)3-1-4-5(9-2-3)10-7(13)11-6(4)12/h1-2H,(H2,9,10,11,12,13) |
| InChI Key | QUOKVTMCGVIFQC-UHFFFAOYSA-N |
| MDL Number | MFCD22056455 |
| Molecular Formula | C7H4ClN3O4S |
| Molecular Weight | 261.6424 |
| SMILES | ClS(C1=CC2=C(NC(NC2=O)=O)N=C1)(=O)=O |
| Synonyms | 2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride,
1384431-51-9,
2,4-Dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-sulfonyl chloride,
ZINC100651110,
NE24525,
|
| Complexity | 431 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.636g/mol |
| Monoisotopic Mass | 260.961g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number