| CAS Number | 1203685-18-0 |
| Catalog Number | AG008UD2 |
| Chemical Name | 3-[[4-(TrifluoroMethyl)phenyl]Methyl]azetidine HCl |
| IUPAC Name | 3-[[4-(trifluoromethyl)phenyl]methyl]azetidine;hydrochloride |
| InChI | InChI=1S/C11H12F3N.ClH/c12-11(13,14)10-3-1-8(2-4-10)5-9-6-15-7-9;/h1-4,9,15H,5-7H2;1H |
| InChI Key | MBDLPYRHZMBWMZ-UHFFFAOYSA-N |
| MDL Number | MFCD14705733 |
| Molecular Formula | C11H13ClF3N |
| Molecular Weight | 251.6758 |
| SMILES | FC(F)(F)C(C=C1)=CC=C1CC2CNC2.Cl |
| Synonyms | 3-{[4-(trifluoromethyl)phenyl]methyl}azetidine hydrochloride,
1203685-18-0,
3-[4-(Trifluoromethyl)benzyl]azetidine hydrochloride,
3-(4-(Trifluoromethyl)benzyl)azetidine hydrochloride,
AC1Q3C78,
CTK7B6673,
MCULE-5980635262,
NE34957,
EN300-59150,
3-[[4-(TrifluoroMethyl)phenyl]Methyl]azetidine HCl,
Z1278581711,
3-([4-(trifluoromethyl)phenyl]methyl)azetidine hydrochloride,
937614-88-5,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.677g/mol |
| Monoisotopic Mass | 251.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number