| CAS Number | 64988-76-7 |
| Catalog Number | AG00EC2K(AGN-PC-0NIRHV) |
| Chemical Name | 5-(Chloromethyl)-3-cyclohexylisoxazole |
| IUPAC Name | 5-(chloromethyl)-3-cyclohexyl-1,2-oxazole |
| InChI | InChI=1S/C10H14ClNO/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h6,8H,1-5,7H2 |
| InChI Key | GCAUWBAOTYXXGO-UHFFFAOYSA-N |
| MDL Number | MFCD08060021 |
| Molecular Formula | C10H14ClNO |
| Molecular Weight | 199.6773 |
| SMILES | N1OC(=CC=1C1CCCCC1)CCl |
| Synonyms | 5-(Chloromethyl)-3-cyclohexylisoxazole,
64988-76-7,
SCHEMBL20163165,
CHEMBRDG-BB 4016108,
MFCD08060021,
ZINC19090483,
AKOS006229500,
AJ-71425,
5-(chloromethyl)-3-cyclohexyl-1,2-oxazole,
Y-3557,
5-(Chloromethyl)-3-cyclohexylisoxazole, AldrichCPR,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.678g/mol |
| Monoisotopic Mass | 199.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number