| CAS Number | 1197653-62-5 |
| Catalog Number | AG019WYM(AGN-PC-0WO4KZ) |
| Chemical Name | 2,2,2-trifluoroethyl N-(4-hydroxycyclohexyl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(4-hydroxycyclohexyl)carbamate |
| InChI | InChI=1S/C9H14F3NO3/c10-9(11,12)5-16-8(15)13-6-1-3-7(14)4-2-6/h6-7,14H,1-5H2,(H,13,15) |
| InChI Key | JZCBNRKVGLXJNQ-UHFFFAOYSA-N |
| MDL Number | MFCD13195895 |
| Molecular Formula | C9H14F3NO3 |
| Molecular Weight | 241.2076 |
| SMILES | OC1CCC(NC(OCC(F)(F)F)=O)CC1 |
| Synonyms | 2,2,2-trifluoroethyl N-(4-hydroxycyclohexyl)carbamate,
1197653-62-5,
EN300-53532,
AC1Q7A8K,
CTK7J9431,
ZINC38342197,
AKOS010542145,
MCULE-7096780575,
NE62679,
BC4277483,
Z812517034,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.21g/mol |
| Monoisotopic Mass | 241.093g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number