| CAS Number | 145279-04-5 |
| Catalog Number | AG01C7DY(AGN-PC-0NADB9) |
| Chemical Name | 2-Nitro-4-phenoxyphenol |
| IUPAC Name | 2-nitro-4-phenoxyphenol |
| InChI | InChI=1S/C12H9NO4/c14-12-7-6-10(8-11(12)13(15)16)17-9-4-2-1-3-5-9/h1-8,14H |
| InChI Key | PVFPTCXTEHFQGM-UHFFFAOYSA-N |
| MDL Number | MFCD27944853 |
| Molecular Formula | C12H9NO4 |
| Molecular Weight | 231.2042 |
| SMILES | [N+](=O)([O-])C1=C(C=CC(=C1)OC1=CC=CC=C1)O |
| Synonyms | 2-nitro-4-phenoxyphenol,
145279-04-5,
Phenol, 2-nitro-4-phenoxy-,
SCHEMBL1602832,
PVFPTCXTEHFQGM-UHFFFAOYSA-N,
AKOS034099543,
2-nitro-4-phenoxy-phenol,
CID10775849,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.207g/mol |
| Monoisotopic Mass | 231.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number