767332-78-5
4-BROMO-2-(2-((4-ETHYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
Name4-BROMO-2-(2-((4-ETHYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
1Identification
【Name】
4-BROMO-2-(2-((4-ETHYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD06199631
【English Synonyms】
【Formula】
C27 H27 Br N2 O5
【MolWeight】
539.423
【Inchi】
InChI=1S/C27H27BrN2O5/c1-3-15-33-23-12-7-20(8-13-23)27(32)35-25-14-9-22(28)16-21(25)17-29-30-26(31)18-34-24-10-5-19(4-2)6-11-24/h5-14,16-17H,3-4,15,18H2,1-2H3,(H,30,31)/b29-17+
【InChIKey】
InChIKey=NUPBHUIANDRJGG-STBIYBPSSA-N
【SMILES】
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)COc3ccc(cc3)CC)Br
【MOL File】
4-BROMO-2-(2-((4-ETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-((4-ETHYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE.cml