| CAS Number | 1240961-14-1 |
| Catalog Number | AG01AFSG(AGN-PC-0WOBRP) |
| Chemical Name | methyl 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanoate |
| IUPAC Name | methyl 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanoate |
| InChI | InChI=1S/C8H10ClNO3/c1-5-6(8(9)13-10-5)3-4-7(11)12-2/h3-4H2,1-2H3 |
| InChI Key | RWOBUEZNLUUHEW-UHFFFAOYSA-N |
| MDL Number | MFCD18144900 |
| Molecular Formula | C8H10ClNO3 |
| Molecular Weight | 203.6229 |
| SMILES | COC(CCC1=C(Cl)ON=C1C)=O |
| Synonyms | methyl 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanoate,
1240961-14-1,
ZINC58177653,
AKOS026729863,
MCULE-8478780516,
Z916869166,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.622g/mol |
| Monoisotopic Mass | 203.035g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number