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92540-90-4 | 2-tert-Butyl-1-hexyl-4-phenyl-5H,6H-benzo[h]quinolin-1-ium tetrafluoroborate
CAS No: 92540-90-4 Catalog No: AG01EZAR MDL No:
Product Description
Catalog Number:
AG01EZAR
Chemical Name:
2-tert-Butyl-1-hexyl-4-phenyl-5H,6H-benzo[h]quinolin-1-ium tetrafluoroborate
CAS Number:
92540-90-4
Molecular Formula:
C29H36BF4N
Molecular Weight:
485.4075
IUPAC Name:
2-tert-butyl-1-hexyl-4-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium;tetrafluoroborate
InChI:
InChI=1S/C29H36N.BF4/c1-5-6-7-13-20-30-27(29(2,3)4)21-26(22-14-9-8-10-15-22)25-19-18-23-16-11-12-17-24(23)28(25)30;2-1(3,4)5/h8-12,14-17,21H,5-7,13,18-20H2,1-4H3;/q+1;-1
InChI Key:
PDESJTNOLTZCBH-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.CCCCCC[n+]1c2c3ccccc3CCc2c(cc1C(C)(C)C)c1ccccc1
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.288g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
485.418g/mol
Monoisotopic Mass:
485.288g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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