593237-01-5
2-[(7-ETHYL-3-FORMYL-1H-INDOL-1-YL)METHYL]-BENZONITRILE
Name2-[(7-ETHYL-3-FORMYL-1H-INDOL-1-YL)METHYL]-BENZONITRILE
1Identification
【Name】
2-[(7-ETHYL-3-FORMYL-1H-INDOL-1-YL)METHYL]-BENZONITRILE
【CAS】
【MDL】
MFCD03906480
【English Synonyms】
【Formula】
C19 H16 N2 O
【MolWeight】
288.348
【Inchi】
InChI=1S/C19H16N2O/c1-2-14-8-5-9-18-17(13-22)12-21(19(14)18)11-16-7-4-3-6-15(16)10-20/h3-9,12-13H,2,11H2,1H3
【InChIKey】
InChIKey=RVKOYHVPOBGUEJ-UHFFFAOYSA-N
【SMILES】
CCc1cccc2c1n(cc2C=O)Cc3ccccc3C#N
【MOL File】
2-[(7-ETHYL-3-FORMYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(7-ETHYL-3-FORMYL-1H-INDOL-1-YL)METHYL]-BENZONITRILE.cml