| CAS Number | 1247509-37-0 |
| Catalog Number | AG01BVUY |
| Chemical Name | 2-Cyclobutoxybenzonitrile |
| IUPAC Name | 2-cyclobutyloxybenzonitrile |
| InChI | InChI=1S/C11H11NO/c12-8-9-4-1-2-7-11(9)13-10-5-3-6-10/h1-2,4,7,10H,3,5-6H2 |
| InChI Key | KMRNPPBITIARSB-UHFFFAOYSA-N |
| MDL Number | MFCD16684469 |
| Molecular Formula | C11H11NO |
| Molecular Weight | 173.2111 |
| SMILES | N#CC1=C(OC2CCC2)C=CC=C1 |
| Synonyms | 2-cyclobutoxybenzonitrile,
1247509-37-0,
ZINC50520427,
AKOS011420627,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.215g/mol |
| Monoisotopic Mass | 173.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number