| CAS Number | 1353562-25-0 |
| Catalog Number | AG01BVMI |
| Chemical Name | 1-(Benzyloxy)-3-isocyanobenzene |
| IUPAC Name | 1-isocyano-3-phenylmethoxybenzene |
| InChI | InChI=1S/C14H11NO/c1-15-13-8-5-9-14(10-13)16-11-12-6-3-2-4-7-12/h2-10H,11H2 |
| InChI Key | NEOLHGTUGWHEMW-UHFFFAOYSA-N |
| MDL Number | MFCD28528512 |
| Molecular Formula | C14H11NO |
| Molecular Weight | 209.2432 |
| SMILES | C(C1=CC=CC=C1)OC1=CC(=CC=C1)[N+]#[C-] |
| Synonyms | 1-(benzyloxy)-3-isocyanobenzene,
1353562-25-0,
ZINC214970733,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.248g/mol |
| Monoisotopic Mass | 209.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 13.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number