| CAS Number | 1820603-74-4 |
| Catalog Number | AG00I0FW |
| Chemical Name | 3-(2-Nitrophenylamino)-3-phenylpropan-1-ol |
| IUPAC Name | 3-(2-nitroanilino)-3-phenylpropan-1-ol |
| InChI | InChI=1S/C15H16N2O3/c18-11-10-13(12-6-2-1-3-7-12)16-14-8-4-5-9-15(14)17(19)20/h1-9,13,16,18H,10-11H2 |
| InChI Key | VCKXJSHFFGFJPE-UHFFFAOYSA-N |
| MDL Number | MFCD27981297 |
| Molecular Formula | C15H16N2O3 |
| Molecular Weight | 272.2991 |
| SMILES | OCCC(c1ccccc1)Nc1ccccc1[N+](=O)[O-] |
| Synonyms | 1820603-74-4,
3-(2-Nitrophenylamino)-3-phenylpropan-1-ol,
3-((2-Nitrophenyl)amino)-3-phenylpropan-1-ol,
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| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.304g/mol |
| Monoisotopic Mass | 272.116g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 78.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
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