| CAS Number | 1306606-38-1 |
| Catalog Number | AG01AHRJ(AGN-PC-0WO4NI) |
| Chemical Name | 5-(chloromethyl)-3-cyclohexyl-4,5-dihydro-1,2-oxazole |
| IUPAC Name | 5-(chloromethyl)-3-cyclohexyl-4,5-dihydro-1,2-oxazole |
| InChI | InChI=1S/C10H16ClNO/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h8-9H,1-7H2 |
| InChI Key | UCQLAKJKFUGRDV-UHFFFAOYSA-N |
| MDL Number | MFCD18838698 |
| Molecular Formula | C10H16ClNO |
| Molecular Weight | 201.6931 |
| SMILES | ClCC1ON=C(C2CCCCC2)C1 |
| Synonyms | 5-(chloromethyl)-3-cyclohexyl-4,5-dihydro-1,2-oxazole,
1306606-38-1,
AKOS013240535,
NE26046,
3-Cyclohexyl-5-(chloromethyl)-2-isoxazoline,
EN300-75575,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.694g/mol |
| Monoisotopic Mass | 201.092g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number