| CAS Number | 888731-88-2 |
| Catalog Number | AG00IFI5(AGN-PC-0WOJXT) |
| Chemical Name | 5-(Benzyloxy)-2,4-dihydro-1,4-benzoxazin-3-one |
| IUPAC Name | 5-phenylmethoxy-4H-1,4-benzoxazin-3-one |
| InChI | InChI=1S/C15H13NO3/c17-14-10-19-13-8-4-7-12(15(13)16-14)18-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,17) |
| InChI Key | AGBBIYMYUOTIMV-UHFFFAOYSA-N |
| MDL Number | MFCD26523334 |
| Molecular Formula | C15H13NO3 |
| Molecular Weight | 255.2686 |
| SMILES | O=C1COc2c(N1)c(ccc2)OCc1ccccc1 |
| Synonyms | 5-(Benzyloxy)-2,4-dihydro-1,4-benzoxazin-3-one,
888731-88-2,
5-benzyloxy-4H-benzo[1,4]oxazin-3-one,
SCHEMBL4894335,
AGBBIYMYUOTIMV-UHFFFAOYSA-N,
ZINC91601035,
V8742,
C15H13NO3,
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| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.273g/mol |
| Monoisotopic Mass | 255.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number