200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 455940-57-5
455940-57-5 | 1-Butyl-2-(3-iodophenyl)-4,6-diphenylpyridin-1-ium tetrafluoroborate
CAS No: 455940-57-5 Catalog No: AG01EW1Y MDL No:
Product Description
Catalog Number:
AG01EW1Y
Chemical Name:
1-Butyl-2-(3-iodophenyl)-4,6-diphenylpyridin-1-ium tetrafluoroborate
CAS Number:
455940-57-5
Molecular Formula:
C27H25BF4IN
Molecular Weight:
577.2032
IUPAC Name:
1-butyl-2-(3-iodophenyl)-4,6-diphenylpyridin-1-ium;tetrafluoroborate
InChI:
InChI=1S/C27H25IN.BF4/c1-2-3-17-29-26(22-13-8-5-9-14-22)19-24(21-11-6-4-7-12-21)20-27(29)23-15-10-16-25(28)18-23;2-1(3,4)5/h4-16,18-20H,2-3,17H2,1H3;/q+1;-1
InChI Key:
RBIUMSMQEDXUIE-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.CCCC[n+]1c(cc(cc1c1cccc(c1)I)c1ccccc1)c1ccccc1
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
577.106g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
577.212g/mol
Monoisotopic Mass:
577.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
© 2019 Angene International Limited. All rights Reserved.