| CAS Number | 1835764-98-1 |
| Catalog Number | AG01B7C7 |
| Chemical Name | 5-(chloromethyl)-3-methyl-4-nitro-1,2-oxazole |
| IUPAC Name | 5-(chloromethyl)-3-methyl-4-nitro-1,2-oxazole |
| InChI | InChI=1S/C5H5ClN2O3/c1-3-5(8(9)10)4(2-6)11-7-3/h2H2,1H3 |
| InChI Key | GSSWSCRYBMTIGX-UHFFFAOYSA-N |
| MDL Number | MFCD30345248 |
| Molecular Formula | C5H5ClN2O3 |
| Molecular Weight | 176.5578 |
| SMILES | CC1C([N+]([O-])=O)=C(CCl)ON=1 |
| Synonyms | 5-(chloromethyl)-3-methyl-4-nitro-1,2-oxazole,
1835764-98-1,
ZINC521399164,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.556g/mol |
| Monoisotopic Mass | 175.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number