765305-20-2
4-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 4-PROPOXYBENZOATE
Name4-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 4-PROPOXYBENZOATE
1Identification
【Name】
4-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD05154407
【English Synonyms】
【Formula】
C25 H23 Br N2 O5
【MolWeight】
511.37
【Inchi】
InChI=1S/C25H23BrN2O5/c1-3-14-32-21-11-7-19(8-12-21)25(30)33-22-13-4-17(15-23(22)31-2)16-27-28-24(29)18-5-9-20(26)10-6-18/h4-13,15-16H,3,14H2,1-2H3,(H,28,29)/b27-16+
【InChIKey】
InChIKey=KTLSKSBIIJMPBG-JVWAILMASA-N
【SMILES】
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2OC)/C=N/NC(=O)c3ccc(cc3)Br
【MOL File】
4-(2-(4-BROMOBENZOYL….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
4-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 4-PROPOXYBENZOATE.cml