590347-04-9
2-(2,5-DICHLOROPHENYL)-5-(1,1-DIMETHYLETHYL)-1H-INDOLE-3-CARBOXALDEHYDE
Name2-(2,5-DICHLOROPHENYL)-5-(1,1-DIMETHYLETHYL)-1H-INDOLE-3-CARBOXALDEHYDE
1Identification
【Name】
2-(2,5-DICHLOROPHENYL)-5-(1,1-DIMETHYLETHYL)-1H-INDOLE-3-CARBOXALDEHYDE
【CAS】
【MDL】
MFCD05180732
【English Synonyms】
【Formula】
C19 H17 Cl2 N O
【MolWeight】
346.255
【Inchi】
InChI=1S/C19H17Cl2NO/c1-19(2,3)11-4-7-17-13(8-11)15(10-23)18(22-17)14-9-12(20)5-6-16(14)21/h4-10,22H,1-3H3
【InChIKey】
InChIKey=JIFHXUJWQHGJHI-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1ccc2c(c1)c(c([nH]2)c3cc(ccc3Cl)Cl)C=O
【MOL File】
2-(2,5-DICHLOROPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2,5-DICHLOROPHENYL)-5-(1,1-DIMETHYLETHYL)-1H-INDOLE-3-CARBOXALDEHYDE.cml