| CAS Number | 1820683-04-2 |
| Catalog Number | AG00I0SL(AGN-PC-0WR7FF) |
| Chemical Name | 6-(benzyloxy)-1,3-benzoxazol-2-amine |
| IUPAC Name | 6-phenylmethoxy-1,3-benzoxazol-2-amine |
| InChI | InChI=1S/C14H12N2O2/c15-14-16-12-7-6-11(8-13(12)18-14)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,16) |
| InChI Key | GUNUIEUVOUBRAZ-UHFFFAOYSA-N |
| MDL Number | MFCD27936885 |
| Molecular Formula | C14H12N2O2 |
| Molecular Weight | 240.2573 |
| SMILES | Nc1nc2c(o1)cc(cc2)OCc1ccccc1 |
| Synonyms | 6-(BENZYLOXY)-1,3-BENZOXAZOL-2-AMINE,
1820683-04-2,
ZINC97757419,
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| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.262g/mol |
| Monoisotopic Mass | 240.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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