764692-56-0
4-(2-((2-ALLYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-((2-ALLYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
1Identification
【Name】
4-(2-((2-ALLYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD06200184
【English Synonyms】
【Formula】
C25 H21 Br N2 O4
【MolWeight】
493.355
【Inchi】
InChI=1S/C25H21BrN2O4/c1-2-7-19-8-3-6-11-23(19)31-17-24(29)28-27-16-18-12-14-20(15-13-18)32-25(30)21-9-4-5-10-22(21)26/h2-6,8-16H,1,7,17H2,(H,28,29)/b27-16+
【InChIKey】
InChIKey=YLSQTDYHRGQCNB-JVWAILMASA-N
【SMILES】
C=CCc1ccccc1OCC(=O)N/N=C/c2ccc(cc2)OC(=O)c3ccccc3Br
【MOL File】
4-(2-((2-ALLYLPHENOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-((2-ALLYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml