| CAS Number | 1041608-24-5 |
| Catalog Number | AG01B8WA |
| Chemical Name | 4-(Naphthalen-1-yloxy)benzonitrile |
| IUPAC Name | 4-naphthalen-1-yloxybenzonitrile |
| InChI | InChI=1S/C17H11NO/c18-12-13-8-10-15(11-9-13)19-17-7-3-5-14-4-1-2-6-16(14)17/h1-11H |
| InChI Key | VNBNEQQFOAFZLG-UHFFFAOYSA-N |
| MDL Number | MFCD12737236 |
| Molecular Formula | C17H11NO |
| Molecular Weight | 245.2753 |
| SMILES | N#CC1=CC=C(OC2=C3C(C=CC=C3)=CC=C2)C=C1 |
| Synonyms | 4-(naphthalen-1-yloxy)benzonitrile,
1041608-24-5,
1-(4-Cyanophenoxy)naphthalene,
ZINC21014471,
AKOS009175308,
EN300-202700,
Z2009833099,
|
| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.281g/mol |
| Monoisotopic Mass | 245.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number