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Home > Fluorides > 1402242-79-8
1402242-79-8 | Borate(1-), [3-(1,1-dimethylethyl)-1-methyl-1H-pyrazol-5-yl]trifluoro-, potassium (1:1), (T-4)-
CAS No: 1402242-79-8 Catalog No: AG001C62 MDL No:MFCD25948968
Product Description
Catalog Number:
AG001C62
Chemical Name:
Borate(1-), [3-(1,1-dimethylethyl)-1-methyl-1H-pyrazol-5-yl]trifluoro-, potassium (1:1), (T-4)-
CAS Number:
1402242-79-8
Molecular Formula:
C8H13BF3KN2
Molecular Weight:
244.1067
MDL Number:
MFCD25948968
IUPAC Name:
potassium;(5-tert-butyl-2-methylpyrazol-3-yl)-trifluoroboranuide
InChI:
InChI=1S/C8H13BF3N2.K/c1-8(2,3)6-5-7(9(10,11)12)14(4)13-6;/h5H,1-4H3;/q-1;+1
InChI Key:
XKWZPUCJJGQDFT-UHFFFAOYSA-N
SMILES:
Cn1nc(cc1[B-](F)(F)F)C(C)(C)C.[K+]
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.076g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.11g/mol
Monoisotopic Mass:
244.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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