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862095-91-8

862095-91-8 | 2-(2,3,4,5,6-pentafluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium,tetrafluoroborate

CAS No: 862095-91-8 Catalog No: AG0038DX MDL No:MFCD08459335

Product Description

Catalog Number:
AG0038DX
Chemical Name:
2-(2,3,4,5,6-pentafluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium,tetrafluoroborate
CAS Number:
862095-91-8
Molecular Formula:
C11H7BF9N3
Molecular Weight:
362.9900
MDL Number:
MFCD08459335
IUPAC Name:
2-(2,3,4,5,6-pentafluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium;tetrafluoroborate
InChI:
InChI=1S/C11H7F5N3.BF4/c12-6-7(13)9(15)11(10(16)8(6)14)19-4-18-3-1-2-5(18)17-19;2-1(3,4)5/h4H,1-3H2;/q+1;-1
InChI Key:
KIWCIWCCQVTPOY-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.Fc1c([n+]2cn3c(n2)CCC3)c(F)c(c(c1F)F)F

Properties

Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.059g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.994g/mol
Monoisotopic Mass:
363.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Literature

Title Journal
Anti-Plasmodium activity of imidazolium and triazolium salts. Bioorganic & medicinal chemistry 20100815

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