764702-10-5
4-BROMO-2-(2-((4-BUTYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE
Name4-BROMO-2-(2-((4-BUTYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE
pro_formulaC27 H27 Br N2 O4
1Identification
【Name】
4-BROMO-2-(2-((4-BUTYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE
【CAS】
【MDL】
MFCD06200166
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C27 H27 Br N2 O4
【pro_molWeight】
523.424
【Inchi】
InChI=1S/C27H27BrN2O4/c1-3-4-8-20-10-13-23(14-11-20)33-18-26(31)30-29-17-21-16-22(28)12-15-25(21)34-27(32)24-9-6-5-7-19(24)2/h5-7,9-17H,3-4,8,18H2,1-2H3,(H,30,31)/b29-17+
【InChIKey】
InChIKey=DIJXTQVCXBZLPW-STBIYBPSSA-N
【SMILES】
CCCCc1ccc(cc1)OCC(=O)N/N=C/c2cc(ccc2OC(=O)c3ccccc3C)Br
【MOL File】
4-BROMO-2-(2-((4-BUT….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:7.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-BROMO-2-(2-((4-BUTYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE.cml