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Home > Fluorides > 455312-18-2
455312-18-2 | 1-Ethyl-4-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinolin-1-ium tetrafluoroborate
CAS No: 455312-18-2 Catalog No: AG01EW1U MDL No:
Product Description
Catalog Number:
AG01EW1U
Chemical Name:
1-Ethyl-4-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinolin-1-ium tetrafluoroborate
CAS Number:
455312-18-2
Molecular Formula:
C24H26BF4N
Molecular Weight:
415.2746
IUPAC Name:
1-ethyl-4-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinolin-1-ium;tetrafluoroborate
InChI:
InChI=1S/C24H26N.BF4/c1-3-25-23-12-8-7-11-21(23)22(19-15-13-18(2)14-16-19)17-24(25)20-9-5-4-6-10-20;2-1(3,4)5/h4-6,9-10,13-17H,3,7-8,11-12H2,1-2H3;/q+1;-1
InChI Key:
KOXHJDZWPIPKKU-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.CC[n+]1c(cc(c2c1CCCC2)c1ccc(cc1)C)c1ccccc1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.209g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
415.283g/mol
Monoisotopic Mass:
415.209g/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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