142921-23-1
2-(4-CHLOROPHENYL)-1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBONITRILE
Name2-(4-CHLOROPHENYL)-1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBONITRILE
1Identification
【Name】
2-(4-CHLOROPHENYL)-1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBONITRILE
【CAS】
【MDL】
MFCD10000646
【English Synonyms】
【Formula】
C13 H8 Cl F3 N2
【MolWeight】
284.667
【Inchi】
InChI=1S/C13H8ClF3N2/c1-19-11(13(15,16)17)6-9(7-18)12(19)8-2-4-10(14)5-3-8/h2-6H,1H3
【InChIKey】
InChIKey=YKMLXIXXQRSJAQ-UHFFFAOYSA-N
【SMILES】
Cn1c(cc(c1c2ccc(cc2)Cl)C#N)C(F)(F)F
【MOL File】
2-(4-CHLOROPHENYL)-1….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
2-(4-CHLOROPHENYL)-1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBONITRILE.cml