767332-76-3
4-BROMO-2-(2-((4-NITROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
Name4-BROMO-2-(2-((4-NITROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
1Identification
【Name】
4-BROMO-2-(2-((4-NITROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD06199634
【English Synonyms】
【Formula】
C25 H22 Br N3 O7
【MolWeight】
556.367
【Inchi】
InChI=1S/C25H22BrN3O7/c1-2-13-34-21-8-3-17(4-9-21)25(31)36-23-12-5-19(26)14-18(23)15-27-28-24(30)16-35-22-10-6-20(7-11-22)29(32)33/h3-12,14-15H,2,13,16H2,1H3,(H,28,30)/b27-15+
【InChIKey】
InChIKey=SQFLPNSBWIWXJF-JFLMPSFJSA-N
【SMILES】
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)COc3ccc(cc3)[N+](=O)[O-])Br
【MOL File】
4-BROMO-2-(2-((4-NIT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:10
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-((4-NITROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE.cml