59321-20-9
1,2,3-TRIS(TRIFLUOROMETHYL)-PYRROLO[2,1-A]ISOQUINOLINE
Name1,2,3-TRIS(TRIFLUOROMETHYL)-PYRROLO[2,1-A]ISOQUINOLINE
1Identification
【Name】
1,2,3-TRIS(TRIFLUOROMETHYL)-PYRROLO[2,1-A]ISOQUINOLINE
【CAS】
【MDL】
MFCD22052465
【English Synonyms】
【Formula】
C15 H6 F9 N
【MolWeight】
371.201
【Inchi】
InChI=1S/C15H6F9N/c16-13(17,18)9-10(14(19,20)21)12(15(22,23)24)25-6-5-7-3-1-2-4-8(7)11(9)25/h1-6H
【InChIKey】
InChIKey=BBEWXBZKYDSOOS-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)ccn3c2c(c(c3C(F)(F)F)C(F)(F)F)C(F)(F)F
【MOL File】
1,2,3-TRIS(TRIFLUORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2,3-TRIS(TRIFLUOROMETHYL)-PYRROLO[2,1-A]ISOQUINOLINE.cml