769149-91-9
4-BROMO-2-(2-((4-METHYLPHENYL)SULFONYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name4-BROMO-2-(2-((4-METHYLPHENYL)SULFONYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
pro_formulaC22 H19 Br N2 O5 S
1Identification
【Name】
4-BROMO-2-(2-((4-METHYLPHENYL)SULFONYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05154021
【EnglishSynonyms】
【pro_formula】
C22 H19 Br N2 O5 S
【pro_molWeight】
503.371
【Inchi】
InChI=1S/C22H19BrN2O5S/c1-15-3-10-20(11-4-15)31(27,28)25-24-14-17-13-18(23)7-12-21(17)30-22(26)16-5-8-19(29-2)9-6-16/h3-14,25H,1-2H3/b24-14+
【InChIKey】
InChIKey=HIJSKYITEZHEOR-ZVHZXABRSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)N/N=C/c2cc(ccc2OC(=O)c3ccc(cc3)OC)Br
【MOL File】
4-BROMO-2-(2-((4-MET….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:7
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-BROMO-2-(2-((4-METHYLPHENYL)SULFONYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml