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89021-61-4 | 1-Isopropyl-2,4-diphenyl-6,7-dihydro-5H-cyclopenta[b]pyridinium tetrafluoroborate
CAS No: 89021-61-4 Catalog No: AG01EYJC MDL No:
Product Description
Catalog Number:
AG01EYJC
Chemical Name:
1-Isopropyl-2,4-diphenyl-6,7-dihydro-5H-cyclopenta[b]pyridinium tetrafluoroborate
CAS Number:
89021-61-4
Molecular Formula:
C23H24BF4N
Molecular Weight:
401.2480
IUPAC Name:
2,4-diphenyl-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;tetrafluoroborate
InChI:
InChI=1S/C23H24N.BF4/c1-17(2)24-22-15-9-14-20(22)21(18-10-5-3-6-11-18)16-23(24)19-12-7-4-8-13-19;2-1(3,4)5/h3-8,10-13,16-17H,9,14-15H2,1-2H3;/q+1;-1
InChI Key:
MHOZZTSIKQCSFZ-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.CC([n+]1c(cc(c2c1CCC2)c1ccccc1)c1ccccc1)C
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.194g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.256g/mol
Monoisotopic Mass:
401.194g/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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