2-(2H-1,3-benzodioxol-5-yl)-6-bromo-3-nitro-2H-1-benzopyran
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-6-bromo-3-nitro-2H-1-benzopyran
2-(2H-1,3-benzodioxol-5-yl)-6-bromo-3-nitro-2H-1-benzopyran
Compound characteristics
Compound ID: | 8012-5151 |
Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-6-bromo-3-nitro-2H-1-benzopyran |
Molecular Weight: | 376.16 |
Molecular Formula: | C16 H10 Br N O5 |
Smiles: | C1Oc2ccc(cc2O1)C1C(=Cc2cc(ccc2O1)[Br])[N+]([O-])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.607 |
logD: | 4.607 |
logSw: | -4.6327 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 57.794 |
InChI Key: | PLNRNXVCWUXQCV-MRXNPFEDSA-N |