| CAS Number | 189130-88-9 |
| Catalog Number | AG002HXM(AGN-PC-01UGX9) |
| Chemical Name | 3-(Chloromethyl)-5-cyclohexyl-1,2,4-oxadiazole |
| IUPAC Name | 3-(chloromethyl)-5-cyclohexyl-1,2,4-oxadiazole |
| InChI | InChI=1S/C9H13ClN2O/c10-6-8-11-9(13-12-8)7-4-2-1-3-5-7/h7H,1-6H2 |
| InChI Key | NIMUCISAHGYZIW-UHFFFAOYSA-N |
| MDL Number | MFCD10690696 |
| Molecular Formula | C9H13ClN2O |
| Molecular Weight | 200.6653 |
| SMILES | ClCC1N=C(C2CCCCC2)ON=1 |
| Synonyms | 3-(chloromethyl)-5-cyclohexyl-1,2,4-oxadiazole,
189130-88-9,
1,2,4-Oxadiazole, 3-(chloromethyl)-5-cyclohexyl-,
SCHEMBL6247076,
CTK0A3312,
DTXSID40592893,
BBL019381,
MFCD10690696,
STL097603,
ZINC26516964,
AKOS005725239,
MCULE-4537597799,
H5364,
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| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.666g/mol |
| Monoisotopic Mass | 200.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number