| CAS Number | 1258651-36-3 |
| Catalog Number | AG01AB33(AGN-PC-0WO5MG) |
| Chemical Name | 5-(chloromethyl)-3-(furan-3-yl)-1,2,4-oxadiazole |
| IUPAC Name | 5-(chloromethyl)-3-(furan-3-yl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C7H5ClN2O2/c8-3-6-9-7(10-12-6)5-1-2-11-4-5/h1-2,4H,3H2 |
| InChI Key | CKSLKNVKVLXKKG-UHFFFAOYSA-N |
| MDL Number | MFCD17977046 |
| Molecular Formula | C7H5ClN2O2 |
| Molecular Weight | 184.5798 |
| SMILES | ClCC1ON=C(C2=COC=C2)N=1 |
| Synonyms | 5-(chloromethyl)-3-(furan-3-yl)-1,2,4-oxadiazole,
1258651-36-3,
AC1Q3U3W,
ZINC57218728,
AKOS012608517,
NE35655,
EN300-70330,
5-(chloromethyl)-3-(3-furyl)-1,2,4-oxadiazole,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.579g/mol |
| Monoisotopic Mass | 184.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number