769149-50-0
2-(2-(4-(ALLYLOXY)BENZOYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-METHOXYBENZOATE
Name2-(2-(4-(ALLYLOXY)BENZOYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-METHOXYBENZOATE
1Identification
【Name】
2-(2-(4-(ALLYLOXY)BENZOYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05154064
【English Synonyms】
【Formula】
C25 H21 Br N2 O5
【MolWeight】
509.354
【Inchi】
InChI=1S/C25H21BrN2O5/c1-3-14-32-22-11-4-17(5-12-22)24(29)28-27-16-19-15-20(26)8-13-23(19)33-25(30)18-6-9-21(31-2)10-7-18/h3-13,15-16H,1,14H2,2H3,(H,28,29)/b27-16+
【InChIKey】
InChIKey=QHGZWXWTIQCXHK-JVWAILMASA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3ccc(cc3)OCC=C)Br
【MOL File】
2-(2-(4-(ALLYLOXY)BE….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
2-(2-(4-(ALLYLOXY)BENZOYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-METHOXYBENZOATE.cml