769150-39-2
2-(2-(1,3-BENZODIOXOL-5-YLCARBONYL)CARBOHYDRAZONOYL)-4-BR-PH 2-CHLOROBENZOATE
Name2-(2-(1,3-BENZODIOXOL-5-YLCARBONYL)CARBOHYDRAZONOYL)-4-BR-PH 2-CHLOROBENZOATE
FormulaC22 H14 Br Cl N2 O5
1Identification
【Name】
2-(2-(1,3-BENZODIOXOL-5-YLCARBONYL)CARBOHYDRAZONOYL)-4-BR-PH 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153966
【English Synonyms】
【Formula】
C22 H14 Br Cl N2 O5
【MolWeight】
501.719
【Inchi】
InChI=1S/C22H14BrClN2O5/c23-15-6-8-18(31-22(28)16-3-1-2-4-17(16)24)14(9-15)11-25-26-21(27)13-5-7-19-20(10-13)30-12-29-19/h1-11H,12H2,(H,26,27)/b25-11+
【InChIKey】
InChIKey=UVQILCCAQYTQBH-OPEKNORGSA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3ccc4c(c3)OCO4)Br)Cl
【MOL File】
2-(2-(1,3-BENZODIOXO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-(1,3-BENZODIOXOL-5-YLCARBONYL)CARBOHYDRAZONOYL)-4-BR-PH 2-CHLOROBENZOATE.cml