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73286-97-2 | 1-Butyl-2-tert-butyl-4-phenyl-5,6-dihydrobenzo[h]quinolinium tetrafluoroborate
CAS No: 73286-97-2 Catalog No: AG01EX8A MDL No:
Product Description
Catalog Number:
AG01EX8A
Chemical Name:
1-Butyl-2-tert-butyl-4-phenyl-5,6-dihydrobenzo[h]quinolinium tetrafluoroborate
CAS Number:
73286-97-2
Molecular Formula:
C27H32BF4N
Molecular Weight:
457.3543
IUPAC Name:
1-butyl-2-tert-butyl-4-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium;tetrafluoroborate
InChI:
InChI=1S/C27H32N.BF4/c1-5-6-18-28-25(27(2,3)4)19-24(20-12-8-7-9-13-20)23-17-16-21-14-10-11-15-22(21)26(23)28;2-1(3,4)5/h7-15,19H,5-6,16-18H2,1-4H3;/q+1;-1
InChI Key:
XRPKGXCKFNPADD-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.CCCC[n+]1c2c(CCc3c2cccc3)c(cc1C(C)(C)C)c1ccccc1
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
457.256g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
457.364g/mol
Monoisotopic Mass:
457.256g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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