767339-21-9
4-BROMO-2-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
Name4-BROMO-2-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
1Identification
【Name】
4-BROMO-2-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
【CAS】
【MDL】
MFCD05152345
【English Synonyms】
【Formula】
C22 H17 Br N2 O5
【MolWeight】
469.289
【Inchi】
InChI=1S/C22H17BrN2O5/c1-13-3-2-4-14(9-13)22(29)30-20-8-5-16(23)10-15(20)12-24-25-21(28)18-7-6-17(26)11-19(18)27/h2-12,26-27H,1H3,(H,25,28)/b24-12+
【InChIKey】
InChIKey=MLSNVEHAUFYGQK-WYMPLXKRSA-N
【SMILES】
Cc1cccc(c1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3ccc(cc3O)O)Br
【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 3-METHYLBENZOATE.cml