| CAS Number | 883236-86-0 |
| Catalog Number | AG019YRV(AGN-PC-0AFN6K) |
| Chemical Name | 4-(3-Nitrophenoxy)benzaldehyde |
| IUPAC Name | 4-(3-nitrophenoxy)benzaldehyde |
| InChI | InChI=1S/C13H9NO4/c15-9-10-4-6-12(7-5-10)18-13-3-1-2-11(8-13)14(16)17/h1-9H |
| InChI Key | WNUVHWSDQVUOSY-UHFFFAOYSA-N |
| MDL Number | MFCD12863614 |
| Molecular Formula | C13H9NO4 |
| Molecular Weight | 243.2149 |
| SMILES | [O-][N+](C1=CC(OC2=CC=C(C=O)C=C2)=CC=C1)=O |
| Synonyms | 4-(3-nitrophenoxy)benzaldehyde,
883236-86-0,
ZINC38080423,
AKOS005823982,
NE17691,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.218g/mol |
| Monoisotopic Mass | 243.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number