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| IUPAC Name: | 2-(2-bromophenyl)acetic acid |
| Description: | 2-Bromophenylacetic acid (CAS# 18698-97-0) is used as the starting material in the synthesis of 2,3,3a,12b-Tetradehydro Asenapine (T291630); a degredation product of Asenapine (A788000) which is a combined serotonin (5HT2) and dopamine (D2) receptor antagonist structurally related to Mianserin (M341500, HCl). Also used as an antipsychotic. |
| Molecular Weight: | 215.04 |
| Molecular Formula: | C8H7BrO2 |
| Canonical SMILES: | C1=CC=C(C(=C1)CC(=O)O)Br |
| InChI: | InChI=1S/C8H7BrO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11) |
| InChI Key: | DWXSYDKEWORWBT-UHFFFAOYSA-N |
| Boiling Point: | 320.2 °C at 760 mmHg |
| Melting Point: | 104-106 °C |
| Purity: | 98 % |
| Density: | 1.616 g/cm3 |
| Appearance: | Almost white to light beige crystals or powder |
| Storage: | Store in a cool, dry place. Store in a tightly closed container. |
| MDL: | MFCD00004314 |
| LogP: | 2.07620 |
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1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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