| CAS Number | 1251923-69-9 |
| Catalog Number | AG01AA4A |
| Chemical Name | 1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride |
| IUPAC Name | 1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride |
| InChI | InChI=1S/C8H6ClN3O4S/c1-12-6-5(7(13)11-8(12)14)2-4(3-10-6)17(9,15)16/h2-3H,1H3,(H,11,13,14) |
| InChI Key | FHJPNZYMEGEHKE-UHFFFAOYSA-N |
| MDL Number | MFCD16817564 |
| Molecular Formula | C8H6ClN3O4S |
| Molecular Weight | 275.6689 |
| SMILES | CN1C2=C(C=C(S(Cl)(=O)=O)C=N2)C(=O)NC1=O |
| Synonyms | 1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride,
1251923-69-9,
1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-sulfonyl chloride,
AC1Q3XYD,
SCHEMBL17824568,
ZINC100617886,
NE23868,
EN300-67025,
|
| Complexity | 460 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.663g/mol |
| Monoisotopic Mass | 274.977g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number