| CAS Number | 2059912-66-0 |
| Catalog Number | AG01C0JS |
| Chemical Name | rac-(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptane hydrochloride, cis |
| IUPAC Name | (1R,5S)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptane;hydrochloride |
| InChI | InChI=1S/C7H10F3N.ClH/c8-7(9,10)6-2-1-5(6)3-11-4-6;/h5,11H,1-4H2;1H/t5-,6+;/m1./s1 |
| InChI Key | DFTJEMWXZVBBEO-IBTYICNHSA-N |
| MDL Number | MFCD30530195 |
| Molecular Formula | C7H11ClF3N |
| Molecular Weight | 201.6171 |
| SMILES | FC([C@]12CNC[C@@H]2CC1)(F)F.Cl |
| Synonyms | rac-(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptane hydrochloride, cis,
2059912-66-0,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.617g/mol |
| Monoisotopic Mass | 201.053g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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