50332-02-0
5-(3-BROMOBENZOYL)-6-METHYL-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID
Name5-(3-BROMOBENZOYL)-6-METHYL-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID
pro_formulaC19 H14 Br N O5
1Identification
【Name】
5-(3-BROMOBENZOYL)-6-METHYL-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID
【CAS】
【MDL】
MFCD01730061
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H14 Br N O5
【pro_molWeight】
416.226
【Inchi】
InChI=1S/C19H14BrNO5/c1-10-13(7-18(22)23)14-6-16-17(26-9-25-16)8-15(14)21(10)19(24)11-3-2-4-12(20)5-11/h2-6,8H,7,9H2,1H3,(H,22,23)
【InChIKey】
InChIKey=RSHMNPPFIJILTR-UHFFFAOYSA-N
【SMILES】
Cc1c(c2cc3c(cc2n1C(=O)c4cccc(c4)Br)OCO3)CC(=O)O
【MOL File】
5-(3-BROMOBENZOYL)-6….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
5-(3-BROMOBENZOYL)-6-METHYL-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID.cml