| CAS Number | 17076-72-1 |
| Catalog Number | AG00AQII(AGN-PC-0044JE) |
| Chemical Name | 3-(4-Nitrophenoxy)benzaldehyde |
| IUPAC Name | 3-(4-nitrophenoxy)benzaldehyde |
| InChI | InChI=1S/C13H9NO4/c15-9-10-2-1-3-13(8-10)18-12-6-4-11(5-7-12)14(16)17/h1-9H |
| InChI Key | NGXQRTNNSHZDDA-UHFFFAOYSA-N |
| MDL Number | MFCD18207479 |
| Molecular Formula | C13H9NO4 |
| Molecular Weight | 243.2149 |
| SMILES | O=Cc1cccc(c1)Oc1ccc(cc1)[N+](=O)[O-] |
| Synonyms | 3-(4-nitrophenoxy)benzaldehyde,
17076-72-1,
3-(4-Nitrophenoxy)-benzaldehyde,
SCHEMBL3746036,
NGXQRTNNSHZDDA-UHFFFAOYSA-N,
ZINC34496183,
AKOS008923442,
CJ-18411,
V3746,
K-5264,
C13H9NO4,
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| 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 | 3.2 |
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Certificate of Analysis
Lot Number