| CAS Number | 36646-13-6 |
| Catalog Number | AG0078SJ(AGN-PC-043JL3) |
| Chemical Name | 2-Benzyl-5-(chloromethyl)-1,3,4-oxadiazole |
| IUPAC Name | 2-benzyl-5-(chloromethyl)-1,3,4-oxadiazole |
| InChI | InChI=1S/C10H9ClN2O/c11-7-10-13-12-9(14-10)6-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChI Key | DVUSDXWUQFEAQB-UHFFFAOYSA-N |
| MDL Number | MFCD09041568 |
| Molecular Formula | C10H9ClN2O |
| Molecular Weight | 208.6443 |
| SMILES | C(C1=CC=CC=C1)C=1OC(=NN1)CCl |
| Synonyms | 2-benzyl-5-(chloromethyl)-1,3,4-oxadiazole,
36646-13-6,
AC1Q3U5F,
SCHEMBL11338554,
CTK4H6948,
DTXSID20634381,
ZINC26470030,
AKOS005356628,
NE50244,
AJ-82428,
FT-0660713,
EN300-59899,
ACN-025869,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.645g/mol |
| Monoisotopic Mass | 208.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number