769151-81-7
4-BROMO-2-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name4-BROMO-2-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
FormulaC21 H14 Br Cl N2 O5
1Identification
【Name】
4-BROMO-2-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153630
【English Synonyms】
【Formula】
C21 H14 Br Cl N2 O5
【MolWeight】
489.708
【Inchi】
InChI=1S/C21H14BrClN2O5/c22-13-5-8-19(30-21(29)15-3-1-2-4-17(15)23)12(9-13)11-24-25-20(28)16-7-6-14(26)10-18(16)27/h1-11,26-27H,(H,25,28)/b24-11+
【InChIKey】
InChIKey=QVHDRMRTDWXIBV-BHGWPJFGSA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3ccc(cc3O)O)Br)Cl
【MOL File】
4-BROMO-2-(2-(2,4-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE.cml