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151200-14-5 | 1H-Imidazole, 1-methyl-, mono[tetrafluoroborate(1-)] (9CI)
CAS No: 151200-14-5 Catalog No: AG001N5V MDL No:
Product Description
Catalog Number:
AG001N5V
Chemical Name:
1H-Imidazole, 1-methyl-, mono[tetrafluoroborate(1-)] (9CI)
CAS Number:
151200-14-5
Molecular Formula:
C12H20B2F8N6
Molecular Weight:
421.9366
IUPAC Name:
3-methyl-1H-imidazol-3-ium;tetrafluoroborate
InChI:
InChI=1S/C4H6N2.BF4/c1-6-3-2-5-4-6;2-1(3,4)5/h2-4H,1H3;/q;-1/p+1
InChI Key:
ULUZIIYGBKXRGN-UHFFFAOYSA-O
SMILES:
F[B-](F)(F)F.F[B-](F)(F)F.Cn1cncc1.C[n+]1c[nH]cc1.C[n+]1c[nH]cc1
Properties
Complexity:
63.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.918g/mol
Monoisotopic Mass:
170.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
19.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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