methyl 6-bromo-4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
methyl 6-bromo-4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylate
methyl 6-bromo-4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylate
Compound characteristics
Compound ID: | 8013-2513 |
Compound Name: | methyl 6-bromo-4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylate |
Molecular Weight: | 385.21 |
Molecular Formula: | C16 H17 Br O6 |
Smiles: | CC(C)(C1C(C(=O)OC)C(=O)Oc2ccc(cc12)[Br])C(=O)OC |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.1651 |
logD: | 3.146 |
logSw: | -3.253 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 63.508 |
InChI Key: | ZQLQNGVBGAXTCJ-UHFFFAOYSA-N |