| CAS Number | 1009628-22-1 |
| Catalog Number | AG019F10(AGN-PC-0WG3OR) |
| Chemical Name | (3S)-4-[2-chloro-6-(iodomethyl)pyrimidin-4-yl]-3-methylmorpholine |
| IUPAC Name | (3S)-4-[2-chloro-6-(iodomethyl)pyrimidin-4-yl]-3-methylmorpholine |
| InChI | InChI=1S/C10H13ClIN3O/c1-7-6-16-3-2-15(7)9-4-8(5-12)13-10(11)14-9/h4,7H,2-3,5-6H2,1H3/t7-/m0/s1 |
| InChI Key | XCOOZBOFPOZBFU-ZETCQYMHSA-N |
| MDL Number | MFCD28404480 |
| Molecular Formula | C10H13ClIN3O |
| Molecular Weight | 353.5872 |
| SMILES | C[C@H]1COCCN1c1cc(CI)nc(Cl)n1 |
| Synonyms | (S)-4-(2-CHLORO-6-(IODOMETHYL)PYRIMIDIN-4-YL)-3-METHYLMORPHOLINE,
1009628-22-1,
SCHEMBL737939,
XCOOZBOFPOZBFU-ZETCQYMHSA-N,
MFCD28404479,
ZINC114485286,
CS-0038666,
2-Chloro-4-(iodomethyl)-6-(3alpha-methylmorpholino)pyrimidine,
2-chloro-4-(iodomethyl)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidine,
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| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 352.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.588g/mol |
| Monoisotopic Mass | 352.979g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number