| CAS Number | 855839-37-1 |
| Catalog Number | AG00IDPL(AGN-PC-0WOJJ7) |
| Chemical Name | 5-Isopropoxy-2-nitrophenol |
| IUPAC Name | 2-nitro-5-propan-2-yloxyphenol |
| InChI | InChI=1S/C9H11NO4/c1-6(2)14-7-3-4-8(10(12)13)9(11)5-7/h3-6,11H,1-2H3 |
| InChI Key | FTVBULCXIBJLDX-UHFFFAOYSA-N |
| MDL Number | MFCD28024834 |
| Molecular Formula | C9H11NO4 |
| Molecular Weight | 197.1879 |
| SMILES | CC(Oc1ccc(c(c1)O)[N+](=O)[O-])C |
| Synonyms | 5-Isopropoxy-2-nitrophenol,
855839-37-1,
2-Nitro-5-isopropoxyphenol,
AKOS026673836,
ZINC169725144,
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| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.19g/mol |
| Monoisotopic Mass | 197.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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