| CAS Number | 1179864-54-0 |
| Catalog Number | AG0099JC(AGN-PC-0WO9I9) |
| Chemical Name | 5-(Chloromethyl)-3-cyclopentyl-1,2,4-oxadiazole |
| IUPAC Name | 5-(chloromethyl)-3-cyclopentyl-1,2,4-oxadiazole |
| InChI | InChI=1S/C8H11ClN2O/c9-5-7-10-8(11-12-7)6-3-1-2-4-6/h6H,1-5H2 |
| InChI Key | SEEFYWJCIAOHGP-UHFFFAOYSA-N |
| MDL Number | MFCD12807701 |
| Molecular Formula | C8H11ClN2O |
| Molecular Weight | 186.6387 |
| SMILES | ClCC1ON=C(C2CCCC2)N=1 |
| Synonyms | 5-(chloromethyl)-3-cyclopentyl-1,2,4-oxadiazole,
1179864-54-0,
SCHEMBL9593395,
STL451599,
ZINC34376216,
AKOS010145392,
MCULE-5776966605,
NE30958,
I14-12501,
ETHYL 3-(OXAN-4-YL)-3-OXOPROPANOATE,
|
| 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
Certificate of Analysis
Lot Number