| CAS Number | 1429180-99-3 |
| Catalog Number | AG00QSBY(AGN-PC-0WG3AQ) |
| Chemical Name | (S)-3-(2-Chloro-6-methyl-4-pyrimidyl)-4-isopropyl-2-oxazolidinone |
| IUPAC Name | (4S)-3-(2-chloro-6-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one |
| InChI | InChI=1S/C11H14ClN3O2/c1-6(2)8-5-17-11(16)15(8)9-4-7(3)13-10(12)14-9/h4,6,8H,5H2,1-3H3/t8-/m1/s1 |
| InChI Key | KUHPPZCNOWLVCO-MRVPVSSYSA-N |
| MDL Number | MFCD30723197 |
| Molecular Formula | C11H14ClN3O2 |
| Molecular Weight | 255.7008 |
| SMILES | CC(C)[C@H]1COC(=O)N1C1=CC(C)=NC(Cl)=N1 |
| Synonyms | 1429180-99-3,
(S)-3-(2-Chloro-6-methyl-4-pyrimidyl)-4-isopropyl-2-oxazolidinone,
SCHEMBL14846738,
(S)-3-(2-chloro-6-methylpyrimidin-4-yl)-4-isopropyloxazolidin-2-one,
MFCD30723197,
AKOS032455801,
ZINC142085207,
AC-29855,
CS-12109,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.702g/mol |
| Monoisotopic Mass | 255.077g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number