| CAS Number | 1236862-00-2 |
| Catalog Number | AG00HHDY(AGN-PC-0WOQKZ) |
| Chemical Name | 4-(Azetidin-3-yloxy)benzonitrile hydrochloride |
| IUPAC Name | 4-(azetidin-3-yloxy)benzonitrile;hydrochloride |
| InChI | InChI=1S/C10H10N2O.ClH/c11-5-8-1-3-9(4-2-8)13-10-6-12-7-10;/h1-4,10,12H,6-7H2;1H |
| InChI Key | JMLTYJWMTBIZMK-UHFFFAOYSA-N |
| MDL Number | MFCD26407821 |
| Molecular Formula | C10H11ClN2O |
| Molecular Weight | 210.6601 |
| SMILES | N#CC1=CC=C(OC2CNC2)C=C1.[H]Cl |
| Synonyms | 4-(azetidin-3-yloxy)benzonitrile hydrochloride,
1236862-00-2,
4-(Azetidin-3-yloxy)benzonitrile HCl,
SCHEMBL2991787,
MFCD26407821,
AKOS026741128,
NE35036,
AS-43081,
EN300-137230,
Z1891776856,
|
| Complexity | 208 |
| 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