50332-11-1
5-(4-CHLOROBUTYRYL)-6-METHYL-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID
Name5-(4-CHLOROBUTYRYL)-6-METHYL-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID
pro_formulaC16 H16 Cl N O5
1Identification
【Name】
5-(4-CHLOROBUTYRYL)-6-METHYL-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID
【CAS】
【MDL】
MFCD01730067
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H16 Cl N O5
【pro_molWeight】
337.757
【Inchi】
InChI=1S/C16H16ClNO5/c1-9-10(6-16(20)21)11-5-13-14(23-8-22-13)7-12(11)18(9)15(19)3-2-4-17/h5,7H,2-4,6,8H2,1H3,(H,20,21)
【InChIKey】
InChIKey=FAGBXKXOWVYBDZ-UHFFFAOYSA-N
【SMILES】
Cc1c(c2cc3c(cc2n1C(=O)CCCCl)OCO3)CC(=O)O
【MOL File】
5-(4-CHLOROBUTYRYL)-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
5-(4-CHLOROBUTYRYL)-6-METHYL-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID.cml