| CAS Number | 1193387-44-8 |
| Catalog Number | AG019W76(AGN-PC-0WO6ZH) |
| Chemical Name | Methyl 5-(chloromethyl)-4,5-dihydro-1,2-oxazole-3-carboxylate |
| IUPAC Name | methyl 5-(chloromethyl)-4,5-dihydro-1,2-oxazole-3-carboxylate |
| InChI | InChI=1S/C6H8ClNO3/c1-10-6(9)5-2-4(3-7)11-8-5/h4H,2-3H2,1H3 |
| InChI Key | CCOQWOGKHSSSKE-UHFFFAOYSA-N |
| MDL Number | MFCD12912888 |
| Molecular Formula | C6H8ClNO3 |
| Molecular Weight | 177.5856 |
| SMILES | COC(C1CC(CCl)ON=1)=O |
| Synonyms | methyl 5-(chloromethyl)-4,5-dihydro-1,2-oxazole-3-carboxylate,
1193387-44-8,
AC1Q43TZ,
CTK6I8370,
AKOS026728371,
MCULE-9939450562,
NE15612,
EN300-50916,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.584g/mol |
| Monoisotopic Mass | 177.019g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number