| CAS Number | 1056157-29-9 |
| Catalog Number | AG01AAWF(AGN-PC-0WO32A) |
| Chemical Name | 3-(Chloromethyl)-5-(furan-3-yl)-1,2,4-oxadiazole |
| IUPAC Name | 3-(chloromethyl)-5-(furan-3-yl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C7H5ClN2O2/c8-3-6-9-7(12-10-6)5-1-2-11-4-5/h1-2,4H,3H2 |
| InChI Key | XIMAUSTTXYGYOZ-UHFFFAOYSA-N |
| MDL Number | MFCD10695999 |
| Molecular Formula | C7H5ClN2O2 |
| Molecular Weight | 184.5798 |
| SMILES | ClCC1N=C(C2=COC=C2)ON=1 |
| Synonyms | 3-(chloromethyl)-5-(furan-3-yl)-1,2,4-oxadiazole,
1056157-29-9,
AC1Q3U6C,
SCHEMBL1545182,
ZINC34955967,
AKOS005200583,
NE43759,
EN300-69772,
|
| 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