| CAS Number | 915925-39-2 |
| Catalog Number | AG00GTTD(AGN-PC-0WB3OE) |
| Chemical Name | 3-(Chloromethyl)-5-cyclopentyl-1,2,4-oxadiazole |
| IUPAC Name | 3-(chloromethyl)-5-cyclopentyl-1,2,4-oxadiazole |
| InChI | InChI=1S/C8H11ClN2O/c9-5-7-10-8(12-11-7)6-3-1-2-4-6/h6H,1-5H2 |
| InChI Key | AIMLZTHNVMYLOQ-UHFFFAOYSA-N |
| MDL Number | MFCD08691634 |
| Molecular Formula | C8H11ClN2O |
| Molecular Weight | 186.6387 |
| SMILES | N1C(CCl)=NOC=1C1CCCC1 |
| Synonyms | 3-(CHLOROMETHYL)-5-CYCLOPENTYL-1,2,4-OXADIAZOLE,
915925-39-2,
1,2,4-Oxadiazole, 3-(chloromethyl)-5-cyclopentyl-,
SCHEMBL15008977,
CTK5H0175,
DTXSID90650912,
AIMLZTHNVMYLOQ-UHFFFAOYSA-N,
CHEMBRDG-BB 4017811,
MFCD08691634,
ZINC19090795,
AKOS009251629,
AB48373,
AJ-71480,
Y-4305,
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| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.639g/mol |
| Monoisotopic Mass | 186.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number