575498-19-0
4-BROMO-2-(2-(2-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
Name4-BROMO-2-(2-(2-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
pro_formulaC21 H14 Br2 N2 O3
1Identification
【Name】
4-BROMO-2-(2-(2-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
【CAS】
【MDL】
MFCD02911319
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H14 Br2 N2 O3
【pro_molWeight】
502.161
【Inchi】
InChI=1S/C21H14Br2N2O3/c22-16-10-11-19(28-21(27)14-6-2-1-3-7-14)15(12-16)13-24-25-20(26)17-8-4-5-9-18(17)23/h1-13H,(H,25,26)/b24-13+
【InChIKey】
InChIKey=ILUIQHWEAILADY-ZMOGYAJESA-N
【SMILES】
c1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3ccccc3Br)Br
【MOL File】
4-BROMO-2-(2-(2-BROM….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-BROMO-2-(2-(2-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE.cml