767334-04-3
4-(2-((4-(BENZYLOXY)PHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-((4-(BENZYLOXY)PHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
1Identification
【Name】
4-(2-((4-(BENZYLOXY)PHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD06199593
【English Synonyms】
【Formula】
C29 H23 Br N2 O5
【MolWeight】
559.414
【Inchi】
InChI=1S/C29H23BrN2O5/c30-27-9-5-4-8-26(27)29(34)37-25-12-10-21(11-13-25)18-31-32-28(33)20-36-24-16-14-23(15-17-24)35-19-22-6-2-1-3-7-22/h1-18H,19-20H2,(H,32,33)/b31-18+
【InChIKey】
InChIKey=OWCBNPUKJXYFPU-FDAWAROLSA-N
【SMILES】
c1ccc(cc1)COc2ccc(cc2)OCC(=O)N/N=C/c3ccc(cc3)OC(=O)c4ccccc4Br
【MOL File】
4-(2-((4-(BENZYLOXY)….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-(2-((4-(BENZYLOXY)PHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml