769147-22-0
4-BROMO-2-(2-(1-NAPHTHYLACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
Name4-BROMO-2-(2-(1-NAPHTHYLACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
pro_formulaC27 H21 Br N2 O3
1Identification
【Name】
4-BROMO-2-(2-(1-NAPHTHYLACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
【CAS】
【MDL】
MFCD05721044
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C27 H21 Br N2 O3
【pro_molWeight】
501.378
【Inchi】
InChI=1S/C27H21BrN2O3/c1-18-6-4-10-21(14-18)27(32)33-25-13-12-23(28)15-22(25)17-29-30-26(31)16-20-9-5-8-19-7-2-3-11-24(19)20/h2-15,17H,16H2,1H3,(H,30,31)/b29-17+
【InChIKey】
InChIKey=ARMDSJJQIPCZLE-STBIYBPSSA-N
【SMILES】
Cc1cccc(c1)C(=O)Oc2ccc(cc2/C=N/NC(=O)Cc3cccc4c3cccc4)Br
【MOL File】
4-BROMO-2-(2-(1-NAPH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:6.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-BROMO-2-(2-(1-NAPHTHYLACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE.cml