74738-18-4
4-[2-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE-3-CARBONITRILE
Name4-[2-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE-3-CARBONITRILE
1Identification
【Name】
4-[2-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE-3-CARBONITRILE
【CAS】
【MDL】
MFCD11218133
【English Synonyms】
【Formula】
C12 H7 F3 N2
【MolWeight】
236.195
【Inchi】
InChI=1S/C12H7F3N2/c13-12(14,15)11-4-2-1-3-9(11)10-7-17-6-8(10)5-16/h1-4,6-7,17H
【InChIKey】
InChIKey=KXAKEOKSXLUKGY-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)c2c[nH]cc2C#N)C(F)(F)F
【MOL File】
4-[2-(TRIFLUOROMETHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[2-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE-3-CARBONITRILE.cml