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88088-97-5 | 1-Cyclopropyl-2,4-diphenyl-5,6-dihydrobenzo[h]quinolinium tetrafluoroborate
CAS No: 88088-97-5 Catalog No: AG01EY5V MDL No:
Product Description
Catalog Number:
AG01EY5V
Chemical Name:
1-Cyclopropyl-2,4-diphenyl-5,6-dihydrobenzo[h]quinolinium tetrafluoroborate
CAS Number:
88088-97-5
Molecular Formula:
C28H24BF4N
Molecular Weight:
461.3015
IUPAC Name:
1-cyclopropyl-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium;tetrafluoroborate
InChI:
InChI=1S/C28H24N.BF4/c1-3-9-20(10-4-1)26-19-27(22-12-5-2-6-13-22)29(23-16-17-23)28-24-14-8-7-11-21(24)15-18-25(26)28;2-1(3,4)5/h1-14,19,23H,15-18H2;/q+1;-1
InChI Key:
YLCOFIMEWQFBOC-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cc(c2ccccc2)[n+](c2c1CCc1c2cccc1)C1CC1.F[B-](F)(F)F
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
461.194g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
461.311g/mol
Monoisotopic Mass:
461.194g/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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