| CAS Number | 2055119-21-4 |
| Catalog Number | AG00I3WW(AGN-PC-0WR4CH) |
| Chemical Name | Benzyl N-[2-(benzyloxy)-3-nitrophenyl]carbamate |
| IUPAC Name | benzyl N-(3-nitro-2-phenylmethoxyphenyl)carbamate |
| InChI | InChI=1S/C21H18N2O5/c24-21(28-15-17-10-5-2-6-11-17)22-18-12-7-13-19(23(25)26)20(18)27-14-16-8-3-1-4-9-16/h1-13H,14-15H2,(H,22,24) |
| InChI Key | QNXUEBWDJTZOKT-UHFFFAOYSA-N |
| MDL Number | MFCD30527691 |
| Molecular Formula | C21H18N2O5 |
| Molecular Weight | 378.3780 |
| SMILES | O=C(Nc1cccc(c1OCc1ccccc1)[N+](=O)[O-])OCc1ccccc1 |
| Synonyms | Benzyl N-[2-(benzyloxy)-3-nitrophenyl]carbamate,
2055119-21-4,
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| Complexity | 498 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 378.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 378.384g/mol |
| Monoisotopic Mass | 378.122g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
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