765288-69-5
4-(2-(2-(4-BROMOPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)-2-MEO-PH 3-PHENYLACRYLATE
Name4-(2-(2-(4-BROMOPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)-2-MEO-PH 3-PHENYLACRYLATE
1Identification
【Name】
4-(2-(2-(4-BROMOPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)-2-MEO-PH 3-PHENYLACRYLATE
【CAS】
【MDL】
MFCD06200063
【English Synonyms】
【Formula】
C26 H23 Br N2 O5
【MolWeight】
523.381
【Inchi】
InChI=1S/C26H23BrN2O5/c1-18(33-22-12-10-21(27)11-13-22)26(31)29-28-17-20-8-14-23(24(16-20)32-2)34-25(30)15-9-19-6-4-3-5-7-19/h3-18H,1-2H3,(H,29,31)/b15-9+,28-17+
【InChIKey】
InChIKey=XIYNCBBAJDIFPM-NVPDJZABSA-N
【SMILES】
CC(C(=O)N/N=C/c1ccc(c(c1)OC)OC(=O)/C=C/c2ccccc2)Oc3ccc(cc3)Br
【MOL File】
4-(2-(2-(4-BROMOPHEN….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-(2-(4-BROMOPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)-2-MEO-PH 3-PHENYLACRYLATE.cml