2-bromo-3,4-dihydroxy-5-methoxybenzoic acid methyl ester
化学名:2-bromo-3,4-dihydroxy-5-methoxybenzoic acid methyl ester
CAS番号.123685-25-6
英語名:2-bromo-3,4-dihydroxy-5-methoxybenzoic acid methyl ester
CBNumberCB13155940
MFC9H9BrO5
MW277.07
MOL File123685-25-6.mol
2-bromo-3,4-dihydroxy-5-methoxybenzoic acid methyl ester物理性質
| 融点 | 146 °C(Solv: ethanol (64-17-5)) |
| 沸点 | 391.0±37.0 °C(Predicted) |
| 比重(密度) | 1.685±0.06 g/cm3(Predicted) |
| 酸解離定数(Pka) | 7.07±0.20(Predicted) |
| InChI | InChI=1S/C9H9BrO5/c1-14-5-3-4(9(13)15-2)6(10)8(12)7(5)11/h3,11-12H,1-2H3 |
| InChIKey | BKWQKJNQARMXHL-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)C1=CC(OC)=C(O)C(O)=C1Br |