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| IUPAC Name: | methyl 2-(2-bromophenyl)acetate |
| Description: | Methyl 2-Bromophenylacetate (CAS# 57486-69-8) is a reagent in the synthesis of 2,3,3a,12b-Tetradehydro Asenapine (T291630). 2,3,3a,12b-Tetradehydro Asenapine is a degredation product of Asenapine (A788000), a combined serotonin (5HT2) and dopamine (D2) receptor antagonist; structurally related to Mianserin. Antipsychotic. |
| Molecular Weight: | 229.07 |
| Molecular Formula: | C9H9BrO2 |
| Canonical SMILES: | COC(=O)CC1=CC=CC=C1Br |
| InChI: | InChI=1S/C9H9BrO2/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3 |
| InChI Key: | AMVCFIFDMKEIRE-UHFFFAOYSA-N |
| Boiling Point: | 264.1 °C at 760 mmHg |
| Density: | 1.445 g/cm3 |
| MDL: | MFCD07779430 |
| LogP: | 2.16460 |
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