IUPAC Name: | 5-bromo-2-methyl-3-nitrobenzoic acid |
Description: | 5-Bromo-2-methyl-3-nitrobenzoic Acid (CAS# 107650-20-4) is a reactant in the preparation of EPZ005687 (E592200), a potent and selective inhibitor of EZH2. |
Molecular Weight: | 260.04 |
Molecular Formula: | C8H6BrNO4 |
Canonical SMILES: | CC1=C(C=C(C=C1C(=O)O)Br)[N+](=O)[O-] |
InChI: | InChI=1S/C8H6BrNO4/c1-4-6(8(11)12)2-5(9)3-7(4)10(13)14/h2-3H,1H3,(H,11,12) |
InChI Key: | DXUUJILVHXQDCV-UHFFFAOYSA-N |
Boiling Point: | 376.983 °C at 760 mmHg |
Density: | 1.778 g/cm3 |
MDL: | MFCD07357316 |
LogP: | 2.88710 |
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