| CAS Number | 1622069-59-3 |
| Catalog Number | AG00IUT4(AGN-PC-0WB05W) |
| Chemical Name | Methyl {[3-(4-chlorophenyl)-1,2-oxazol-5-yl]carbamoyl}formate |
| IUPAC Name | methyl 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoacetate |
| InChI | InChI=1S/C12H9ClN2O4/c1-18-12(17)11(16)14-10-6-9(15-19-10)7-2-4-8(13)5-3-7/h2-6H,1H3,(H,14,16) |
| InChI Key | FULXRVZIYUFMAN-UHFFFAOYSA-N |
| MDL Number | MFCD28122605 |
| Molecular Formula | C12H9ClN2O4 |
| Molecular Weight | 280.6639 |
| SMILES | ClC2(=CC=C(C1(=NOC(=C1)NC(=O)C(=O)OC))C=C2) |
| Synonyms | methyl {[3-(4-chlorophenyl)-1,2-oxazol-5-yl]carbamoyl}formate,
1622069-59-3,
KS-000026NY,
AKOS024258569,
ZINC169620382,
HK-0215,
OR311055,
|
| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.664g/mol |
| Monoisotopic Mass | 280.025g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number