| CAS Number | 83486-63-9 |
| Catalog Number | AG00IDAW(AGN-PC-0MYUV0) |
| Chemical Name | 5-(Benzyloxy)-2-nitrophenol |
| IUPAC Name | 2-nitro-5-phenylmethoxyphenol |
| InChI | InChI=1S/C13H11NO4/c15-13-8-11(6-7-12(13)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,15H,9H2 |
| InChI Key | XGCGFGQIRIUEED-UHFFFAOYSA-N |
| MDL Number | MFCD28024836 |
| Molecular Formula | C13H11NO4 |
| Molecular Weight | 245.2307 |
| SMILES | [O-][N+](=O)c1ccc(cc1O)OCc1ccccc1 |
| Synonyms | 5-(Benzyloxy)-2-nitrophenol,
83486-63-9,
5-benzyloxy-2-nitrophenol,
SCHEMBL3235424,
ZINC34218592,
Phenol, 2-nitro-5-(phenylmethoxy)-,
2-nitro-5-phenylmethoxy-phenol,
CID10105907,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.234g/mol |
| Monoisotopic Mass | 245.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number