| CAS Number | 93732-50-4 |
| Catalog Number | AG00IHS0(AGN-PC-0WRA8J) |
| Chemical Name | 5-(Benzyloxy)-1-methyl-1,3-benzodiazole |
| IUPAC Name | 1-methyl-5-phenylmethoxybenzimidazole |
| InChI | InChI=1S/C15H14N2O/c1-17-11-16-14-9-13(7-8-15(14)17)18-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3 |
| InChI Key | YPQOZSUXATYKAY-UHFFFAOYSA-N |
| MDL Number | MFCD29917484 |
| Molecular Formula | C15H14N2O |
| Molecular Weight | 238.2845 |
| SMILES | Cn1cnc2c1ccc(c2)OCc1ccccc1 |
| Synonyms | 5-(Benzyloxy)-1-methyl-1,3-benzodiazole,
93732-50-4,
AKOS027446282,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.29g/mol |
| Monoisotopic Mass | 238.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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