769153-20-0
4-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-BROMOBENZOATE
Name4-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-BROMOBENZOATE
1Identification
【Name】
4-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-BROMOBENZOATE
【CAS】
【MDL】
MFCD05153455
【English Synonyms】
【Formula】
C22 H17 Br N2 O6
【MolWeight】
485.288
【Inchi】
InChI=1S/C22H17BrN2O6/c1-30-20-9-13(12-24-25-21(28)17-7-6-16(26)11-18(17)27)5-8-19(20)31-22(29)14-3-2-4-15(23)10-14/h2-12,26-27H,1H3,(H,25,28)/b24-12+
【InChIKey】
InChIKey=DMUUXIXPRKFCAJ-WYMPLXKRSA-N
【SMILES】
COc1cc(ccc1OC(=O)c2cccc(c2)Br)/C=N/NC(=O)c3ccc(cc3O)O
【MOL File】
4-(2-(2,4-DIHYDROXYB….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-BROMOBENZOATE.cml