| CAS Number | 960492-85-7 |
| Catalog Number | AG019TIM |
| Chemical Name | 3-{[2-(Trifluoromethyl)phenyl]methyl}azetidine hydrochloride |
| IUPAC Name | 3-[[2-(trifluoromethyl)phenyl]methyl]azetidine;hydrochloride |
| InChI | InChI=1S/C11H12F3N.ClH/c12-11(13,14)10-4-2-1-3-9(10)5-8-6-15-7-8;/h1-4,8,15H,5-7H2;1H |
| InChI Key | SABQCVWOPDZJCL-UHFFFAOYSA-N |
| MDL Number | MFCD12406975 |
| Molecular Formula | C11H13ClF3N |
| Molecular Weight | 251.6758 |
| SMILES | Cl.FC(C1=C(CC2CNC2)C=CC=C1)(F)F |
| Synonyms | 3-{[2-(trifluoromethyl)phenyl]methyl}azetidine hydrochloride,
960492-85-7,
3-[2-(Trifluoromethyl)benzyl]azetidine Hydrochloride,
SCHEMBL3949476,
SABQCVWOPDZJCL-UHFFFAOYSA-N,
MCULE-7951156779,
NE40921,
Z1318147510,
|
| Complexity | 210 |
| 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