| CAS Number | 1141427-74-8 |
| Catalog Number | AG0095ZW(AGN-PC-0WCS0O) |
| Chemical Name | Ethyl 3-(chloromethyl)isoxazole-5-carboxylate |
| IUPAC Name | ethyl 3-(chloromethyl)-1,2-oxazole-5-carboxylate |
| InChI | InChI=1S/C7H8ClNO3/c1-2-11-7(10)6-3-5(4-8)9-12-6/h3H,2,4H2,1H3 |
| InChI Key | HGMAUHFCWCICEY-UHFFFAOYSA-N |
| MDL Number | MFCD20637793 |
| Molecular Formula | C7H8ClNO3 |
| Molecular Weight | 189.5963 |
| SMILES | O=C(C1=CC(CCl)=NO1)OCC |
| Synonyms | Ethyl 3-(chloromethyl)isoxazole-5-carboxylate,
1141427-74-8,
SCHEMBL15273790,
MFCD20637793,
ZINC79064676,
AKOS025146776,
FT-0752600,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.595g/mol |
| Monoisotopic Mass | 189.019g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number