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Home > Fluorides > 245679-18-9
245679-18-9 | 1,3-Bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazolium tetrafluoroborate
CAS No: 245679-18-9 Catalog No: AG0037QZ MDL No:MFCD02684542
Product Description
Catalog Number:
AG0037QZ
Chemical Name:
1,3-Bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazolium tetrafluoroborate
CAS Number:
245679-18-9
Molecular Formula:
C21H27BF4N2
Molecular Weight:
394.2571
MDL Number:
MFCD02684542
IUPAC Name:
1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;tetrafluoroborate
InChI:
InChI=1S/C21H27N2.BF4/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;2-1(3,4)5/h9-13H,7-8H2,1-6H3;/q+1;-1
InChI Key:
VNRDQIOMNLIVQJ-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.Cc1cc(C)c(c(c1)C)N1CC[N+](=C1)c1c(C)cc(cc1C)C
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.22g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.265g/mol
Monoisotopic Mass:
394.22g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
6.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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