597545-02-3
4-(2-METHYL-5-PHENYL-1H-PYRROL-1-YL)-BENZONITRILE
Name4-(2-METHYL-5-PHENYL-1H-PYRROL-1-YL)-BENZONITRILE
1Identification
【Name】
4-(2-METHYL-5-PHENYL-1H-PYRROL-1-YL)-BENZONITRILE
【CAS】
【MDL】
MFCD03923600
【English Synonyms】
【Formula】
C18 H14 N2
【MolWeight】
258.323
【Inchi】
InChI=1S/C18H14N2/c1-14-7-12-18(16-5-3-2-4-6-16)20(14)17-10-8-15(13-19)9-11-17/h2-12H,1H3
【InChIKey】
InChIKey=RNQMOBULXCUKFD-UHFFFAOYSA-N
【SMILES】
Cc1ccc(n1c2ccc(cc2)C#N)c3ccccc3
【MOL File】
4-(2-METHYL-5-PHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-METHYL-5-PHENYL-1H-PYRROL-1-YL)-BENZONITRILE.cml