769151-86-2
4-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
1Identification
【Name】
4-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD05153619
【English Synonyms】
【Formula】
C21 H15 Br N2 O5
【MolWeight】
455.263
【Inchi】
InChI=1S/C21H15BrN2O5/c22-18-4-2-1-3-16(18)21(28)29-15-8-5-13(6-9-15)12-23-24-20(27)17-10-7-14(25)11-19(17)26/h1-12,25-26H,(H,24,27)/b23-12+
【InChIKey】
InChIKey=ZKOSEWHQZXPXDN-FSJBWODESA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2)/C=N/NC(=O)c3ccc(cc3O)O)Br
【MOL File】
4-(2-(2,4-DIHYDROXYB….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml