| CAS Number | 854137-69-2 |
| Catalog Number | AG00IDNP(AGN-PC-0WOC4X) |
| Chemical Name | 5-(Chloromethyl)-3-(4-ethylphenyl)-1,2,4-oxadiazole |
| IUPAC Name | 5-(chloromethyl)-3-(4-ethylphenyl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C11H11ClN2O/c1-2-8-3-5-9(6-4-8)11-13-10(7-12)15-14-11/h3-6H,2,7H2,1H3 |
| InChI Key | MVARJWYCLXBPBU-UHFFFAOYSA-N |
| MDL Number | MFCD07312769 |
| Molecular Formula | C11H11ClN2O |
| Molecular Weight | 222.6708 |
| SMILES | CCC1=CC=C(C=C1)C2=NOC(=N2)CCl |
| Synonyms | 5-(chloromethyl)-3-(4-ethylphenyl)-1,2,4-oxadiazole,
854137-69-2,
AC1NLQT5,
AC1Q2TGU,
SCHEMBL8432966,
CTK6D1484,
ZINC4206834,
MFCD07312769,
AKOS000349577,
MCULE-1923611656,
NE13508,
EN300-13638,
ZINC04206834,
CID4962556,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.672g/mol |
| Monoisotopic Mass | 222.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number