| CAS Number | 885461-03-0 |
| Catalog Number | AG019NXF |
| Chemical Name | 4-chloro-2-(4-methyl-3-nitrophenyl)thieno[2,3-d]pyrimidine |
| IUPAC Name | 4-chloro-2-(4-methyl-3-nitrophenyl)thieno[2,3-d]pyrimidine |
| InChI | InChI=1S/C13H8ClN3O2S/c1-7-2-3-8(6-10(7)17(18)19)12-15-11(14)9-4-5-20-13(9)16-12/h2-6H,1H3 |
| InChI Key | VFZCVGPCRWMZHC-UHFFFAOYSA-N |
| MDL Number | MFCD06660516 |
| Molecular Formula | C13H8ClN3O2S |
| Molecular Weight | 305.7395 |
| SMILES | CC1=C([N+]([O-])=O)C=C(C2=NC3=C(C=CS3)C(Cl)=N2)C=C1 |
| Synonyms | 4-chloro-2-(4-methyl-3-nitrophenyl)thieno[2,3-d]pyrimidine,
885461-03-0,
AC1NLPNA,
AC1Q2EDN,
CTK5I2520,
ZINC4205037,
AKOS000117328,
EN300-12074,
ZINC04205037,
CID4961792,
|
| Complexity | 381 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.736g/mol |
| Monoisotopic Mass | 305.003g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 99.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number