| CAS Number | 1820618-41-4 |
| Catalog Number | AG00I0K2(AGN-PC-0WOCCD) |
| Chemical Name | 5-(Benzyloxy)-N-cyclopropyl-2-nitroaniline |
| IUPAC Name | N-cyclopropyl-2-nitro-5-phenylmethoxyaniline |
| InChI | InChI=1S/C16H16N2O3/c19-18(20)16-9-8-14(10-15(16)17-13-6-7-13)21-11-12-4-2-1-3-5-12/h1-5,8-10,13,17H,6-7,11H2 |
| InChI Key | PTJOEQOAFYDEJY-UHFFFAOYSA-N |
| MDL Number | MFCD28101658 |
| Molecular Formula | C16H16N2O3 |
| Molecular Weight | 284.3098 |
| SMILES | [O-][N+](=O)c1ccc(cc1NC1CC1)OCc1ccccc1 |
| Synonyms | 5-(Benzyloxy)-N-cyclopropyl-2-nitroaniline,
1820618-41-4,
AKOS027376682,
ZINC169726171,
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| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.315g/mol |
| Monoisotopic Mass | 284.116g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.1A^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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