74738-12-8
1-ACETYL-4-[2-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE-3-CARBONITRILE
Name1-ACETYL-4-[2-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE-3-CARBONITRILE
1Identification
【Name】
1-ACETYL-4-[2-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE-3-CARBONITRILE
【CAS】
【MDL】
MFCD11218262
【English Synonyms】
【Formula】
C14 H9 F3 N2 O
【MolWeight】
278.232
【Inchi】
InChI=1S/C14H9F3N2O/c1-9(20)19-7-10(6-18)12(8-19)11-4-2-3-5-13(11)14(15,16)17/h2-5,7-8H,1H3
【InChIKey】
InChIKey=WDNAINNDZHXHRG-UHFFFAOYSA-N
【SMILES】
CC(=O)n1cc(c(c1)c2ccccc2C(F)(F)F)C#N
【MOL File】
1-ACETYL-4-[2-(TRIFL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-ACETYL-4-[2-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE-3-CARBONITRILE.cml