4-Nitroanisole
| PubChem CID | 7485 |
| Molecular Formula | C7H7NO3 |
| Structure |
|
| Synonyms |
4-Nitroanisole
1-Methoxy-4-nitrobenzene 100-17-4 P-NITROANISOLE Benzene, 1-methoxy-4-nitro- 4-Methoxynitrobenzene p-Methoxynitrobenzene Nitroanisole Anisole, p-nitro- p-Nitroanisol 4-Nitrophenyl methyl ether 4-Methoxy-1-nitrobenzene NSC 5507 p-Nitromethoxybenzene 4-Nitro-1-methoxybenzene Methyl p-nitrophenyl ether Methyl 4-nitrophenyl ether G989Z7WOLH CHEBI:1911 NSC-5507 91-23-6(o-Nitroanisole); 100-17-4(p-Nitroanisole) 4-nitroanisol CCRIS 2321 EINECS 202-825-3 UNII-G989Z7WOLH AI3-00189 anisole, 4-nitro- 4-methoxy-nitrobenzene 4-Nitroanisole, 97% NITROANISOLE, P- WLN: WNR DO1 1-methoxy-4-nitro-benzene 4-NITROMETHOXYBENZENE P-NITROANISOLE [MI] CHEMBL57537 SCHEMBL492221 SCHEMBL6918525 DTXSID9059208 SCHEMBL14406394 NSC5507 P-NITROBENZENE METHYL ETHER 4-Nitroanisole, analytical standard MFCD00007327 STK372693 AKOS000121613 PS-5781 NCGC00340123-01 N0126 NS00007707 EN300-15566 A16156 C07555 AB01095048-03 AE-562/40237372 Q27105525 Z31131411 F0001-0010 InChI=1/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H |
Computed Descriptors
| IUPAC Name | 1-methoxy-4-nitrobenzene |
| SMILES | COC1=CC=C(C=C1)[N+](=O)[O-] |
| Canonical SMILES | COC1=CC=C(C=C1)[N+](=O)[O-] |
| InChI | InChI=1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3 |
| InChIKey | BNUHAJGCKIQFGE-UHFFFAOYSA-N |
Computed Properties
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| Molecular Weight | 153.14 g/mol |
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 153.043 |
| Monoisotopic Mass | 153.043 |
| Topological Polar Surface Area | 55 |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 135 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
9 pairs of Verified P450 and 4-Nitroanisole
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Cydia pomonella | CYP9A61 | E,Y | |
| Helicoverpa armigera | CYP6B7 | Y | |
| Helicoverpa armigera | CYP9A12 | Y | |
| Helicoverpa armigera | CYP9A14 | Y | |
| Laodelphax striatellus | CYP301B1 | D,X | |
| Laodelphax striatellus | CYP353D1V2 | X | |
| Laodelphax striatellus | CYP439A1V3 | X | |
| Laodelphax striatellus | CYP4FB1 | D,X | |
| Lucilia cuprina | CYP6G3 | E |