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| IUPAC Name: | 2-nitro-5-phenylmethoxybenzaldehyde |
| Description: | 2-Nitro-5-(phenylmethoxy)-benzaldehyde is an intermediate used in the synthesis of 5-Hydroxyindole-3-acetic Acid-13C3 (H953604), which is an isotope labelled analog of 5-hydroxyindole-3-acetic acid. 5-Hydroxyindole-3-acetic acid is an impurity of chlorpheniramine (C424300), an antihistaminic agent. |
| Molecular Weight: | 257.24 |
| Molecular Formula: | C14H11NO4 |
| Canonical SMILES: | C1=CC=C(C=C1)COC2=CC(=C(C=C2)[N+](=O)[O-])C=O |
| InChI: | InChI=1S/C14H11NO4/c16-9-12-8-13(6-7-14(12)15(17)18)19-10-11-4-2-1-3-5-11/h1-9H,10H2 |
| InChI Key: | LILVVZJBGYMAKS-UHFFFAOYSA-N |
| Solubility: | Dichloromethane; Ethyl Acetate; Acetone |
| Appearance: | Orange Solid |
| References: | Josko, J., et al. Annal. Acad. Med. Siles., 66, 13, (2012); Carson, R.P., et al. Human. Molec. Genetics., 22, 140 (2013). |
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