| CAS Number | 69146-79-8 |
| Catalog Number | AG019LL6(AGN-PC-0WNNNE) |
| Chemical Name | 5-(Chloromethyl)-1,2,4-oxadiazole |
| IUPAC Name | 5-(chloromethyl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C3H3ClN2O/c4-1-3-5-2-6-7-3/h2H,1H2 |
| InChI Key | FOZBRFZFJCRLQP-UHFFFAOYSA-N |
| MDL Number | MFCD09971529 |
| Molecular Formula | C3H3ClN2O |
| Molecular Weight | 118.5217 |
| SMILES | ClCC1ON=CN=1 |
| Synonyms | 5-(chloromethyl)-1,2,4-oxadiazole,
69146-79-8,
AC1Q3U4G,
SCHEMBL506574,
CTK6H6998,
FOZBRFZFJCRLQP-UHFFFAOYSA-N,
5-chloromethyl-1,2,4-oxadiazole,
ALBB-031527,
MFCD09971529,
ZINC20282418,
AKOS026727427,
NE18936,
BS-12706,
EN300-31647,
F8880-7262,
783292-49-9,
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| Complexity | 60.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 117.993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 118.52g/mol |
| Monoisotopic Mass | 117.993g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number