122453-72-9
2-(4-CHLOROPHENYL)-4-BROMO-1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBONITRILE
Name2-(4-CHLOROPHENYL)-4-BROMO-1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBONITRILE
FormulaC13 H7 Br Cl F3 N2
1Identification
【Name】
2-(4-CHLOROPHENYL)-4-BROMO-1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBONITRILE
【CAS】
【MDL】
MFCD09744013
【English Synonyms】
【Formula】
C13 H7 Br Cl F3 N2
【MolWeight】
363.563
【Inchi】
InChI=1S/C13H7BrClF3N2/c1-20-11(7-2-4-8(15)5-3-7)9(6-19)10(14)12(20)13(16,17)18/h2-5H,1H3
【InChIKey】
InChIKey=MXCIGSYOLDBUKU-UHFFFAOYSA-N
【SMILES】
Cn1c(c(c(c1C(F)(F)F)Br)C#N)c2ccc(cc2)Cl
【MOL File】
2-(4-CHLOROPHENYL)-4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(4-CHLOROPHENYL)-4-BROMO-1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBONITRILE.cml