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88125-53-5 | Benzo[h]quinolinium, 1-hexyl-5,6-dihydro-2,4-diphenyl-, perchlorate
CAS No: 88125-53-5 Catalog No: AG004DUW MDL No:
Product Description
Catalog Number:
AG004DUW
Chemical Name:
Benzo[h]quinolinium, 1-hexyl-5,6-dihydro-2,4-diphenyl-, perchlorate
CAS Number:
88125-53-5
Molecular Formula:
C31H32ClNO4
Molecular Weight:
518.0431
IUPAC Name:
1-hexyl-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium;perchlorate
InChI:
InChI=1S/C31H32N.ClHO4/c1-2-3-4-13-22-32-30(26-17-9-6-10-18-26)23-29(24-14-7-5-8-15-24)28-21-20-25-16-11-12-19-27(25)31(28)32;2-1(3,4)5/h5-12,14-19,23H,2-4,13,20-22H2,1H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
BDRKZHGOJCYEEE-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CCCCCC[n+]1c(cc(c2c1c1ccccc1CC2)c1ccccc1)c1ccccc1
Properties
Complexity:
641
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
517.202g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
518.05g/mol
Monoisotopic Mass:
517.202g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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