| CAS Number | 35166-40-6 |
| Catalog Number | AG01C29M(AGN-PC-0MYFA6) |
| Chemical Name | 5-(Chloromethyl)-3-methoxy-1,2-oxazole |
| IUPAC Name | 5-(chloromethyl)-3-methoxy-1,2-oxazole |
| InChI | InChI=1S/C5H6ClNO2/c1-8-5-2-4(3-6)9-7-5/h2H,3H2,1H3 |
| InChI Key | MHRNHYKQFZPBLT-UHFFFAOYSA-N |
| MDL Number | MFCD19232421 |
| Molecular Formula | C5H6ClNO2 |
| Molecular Weight | 147.5596 |
| SMILES | COC1=NOC(CCl)=C1 |
| Synonyms | 5-(chloromethyl)-3-methoxy-1,2-oxazole,
35166-40-6,
3-methoxy-5-isoxazolylmethyl chloride,
5-(chloromethyl)-3-methoxyisoxazole,
SCHEMBL3765497,
5-Chloromethyl-3-methoxyisoxazole,
MHRNHYKQFZPBLT-UHFFFAOYSA-N,
5-chloromethyl-3-methoxy-isoxazole,
MFCD19232421,
ZINC34179350,
AKOS006382811,
CID10080543,
|
| Complexity | 91 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 147.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 147.558g/mol |
| Monoisotopic Mass | 147.009g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number