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455940-54-2 | 1-Ethenyl-2,4-diphenyl-5H,6H-benzo[h]quinolin-1-ium tetrafluoroboranuide
CAS No: 455940-54-2 Catalog No: AG01EW1X MDL No:MFCD00960622
Product Description
Catalog Number:
AG01EW1X
Chemical Name:
1-Ethenyl-2,4-diphenyl-5H,6H-benzo[h]quinolin-1-ium tetrafluoroboranuide
CAS Number:
455940-54-2
Molecular Formula:
C27H22BF4N
Molecular Weight:
447.2749
MDL Number:
MFCD00960622
IUPAC Name:
1-ethenyl-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium;tetrafluoroborate
InChI:
InChI=1S/C27H22N.BF4/c1-2-28-26(22-14-7-4-8-15-22)19-25(20-11-5-3-6-12-20)24-18-17-21-13-9-10-16-23(21)27(24)28;2-1(3,4)5/h2-16,19H,1,17-18H2;/q+1;-1
InChI Key:
VNHZKVFSMFKVNS-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.C=C[n+]1c(cc(c2c1c1ccccc1CC2)c1ccccc1)c1ccccc1
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.178g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
447.284g/mol
Monoisotopic Mass:
447.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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