50332-07-5
5-(5-BROMO-2-FUROYL)-6-METHYL-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID
Name5-(5-BROMO-2-FUROYL)-6-METHYL-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID
pro_formulaC17 H12 Br N O6
1Identification
【Name】
5-(5-BROMO-2-FUROYL)-6-METHYL-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID
【CAS】
【MDL】
MFCD01730063
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H12 Br N O6
【pro_molWeight】
406.187
【Inchi】
InChI=1S/C17H12BrNO6/c1-8-9(5-16(20)21)10-4-13-14(24-7-23-13)6-11(10)19(8)17(22)12-2-3-15(18)25-12/h2-4,6H,5,7H2,1H3,(H,20,21)
【InChIKey】
InChIKey=AWEDWPMJMZOPJF-UHFFFAOYSA-N
【SMILES】
Cc1c(c2cc3c(cc2n1C(=O)c4ccc(o4)Br)OCO3)CC(=O)O
【MOL File】
5-(5-BROMO-2-FUROYL)….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:7
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
5-(5-BROMO-2-FUROYL)-6-METHYL-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID.cml