| CAS Number | 1350362-25-2 |
| Catalog Number | AG01EJT4 |
| Chemical Name | 3-(azetidin-3-yloxy)benzonitrile hydrochloride |
| IUPAC Name | 3-(azetidin-3-yloxy)benzonitrile;hydrochloride |
| InChI | InChI=1S/C10H10N2O.ClH/c11-5-8-2-1-3-9(4-8)13-10-6-12-7-10;/h1-4,10,12H,6-7H2;1H |
| InChI Key | OBTJYSMWTHIRJS-UHFFFAOYSA-N |
| MDL Number | MFCD28133884 |
| Molecular Formula | C10H11ClN2O |
| Molecular Weight | 210.6601 |
| SMILES | Cl.N#CC1=CC(OC2CNC2)=CC=C1 |
| Synonyms | 3-(Azetidin-3-yloxy)benzonitrile hydrochloride,
1350362-25-2,
AKOS027334095,
3-(AZETIDIN-3-YLOXY)BENZONITRILE HCL,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.661g/mol |
| Monoisotopic Mass | 210.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number