767339-40-2
2-(2-((4-ALLYL-2-METHOXYPHENOXY)ACETYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL BENZOATE
Name2-(2-((4-ALLYL-2-METHOXYPHENOXY)ACETYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL BENZOATE
1Identification
【Name】
2-(2-((4-ALLYL-2-METHOXYPHENOXY)ACETYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL BENZOATE
【CAS】
【MDL】
MFCD05151982
【English Synonyms】
【Formula】
C26 H23 Br N2 O5
【MolWeight】
523.381
【Inchi】
InChI=1S/C26H23BrN2O5/c1-3-7-18-10-12-23(24(14-18)32-2)33-17-25(30)29-28-16-20-15-21(27)11-13-22(20)34-26(31)19-8-5-4-6-9-19/h3-6,8-16H,1,7,17H2,2H3,(H,29,30)/b28-16+
【InChIKey】
InChIKey=IYACEWICJFADKL-LQKURTRISA-N
【SMILES】
COc1cc(ccc1OCC(=O)N/N=C/c2cc(ccc2OC(=O)c3ccccc3)Br)CC=C
【MOL File】
2-(2-((4-ALLYL-2-MET….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-ALLYL-2-METHOXYPHENOXY)ACETYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL BENZOATE.cml