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1402242-84-5 | Borate(1-), [5-(1,1-dimethylethyl)-1H-pyrazol-3-yl]trifluoro-, potassium (1:1), (T-4)-
CAS No: 1402242-84-5 Catalog No: AG001C5Z MDL No:MFCD25948967
Product Description
Catalog Number:
AG001C5Z
Chemical Name:
Borate(1-), [5-(1,1-dimethylethyl)-1H-pyrazol-3-yl]trifluoro-, potassium (1:1), (T-4)-
CAS Number:
1402242-84-5
Molecular Formula:
C7H11BF3KN2
Molecular Weight:
230.0801
MDL Number:
MFCD25948967
IUPAC Name:
potassium;(3-tert-butyl-1H-pyrazol-5-yl)-trifluoroboranuide
InChI:
InChI=1S/C7H11BF3N2.K/c1-7(2,3)5-4-6(13-12-5)8(9,10)11;/h4H,1-3H3,(H,12,13);/q-1;+1
InChI Key:
TVYBIRRDVOVJPL-UHFFFAOYSA-N
SMILES:
CC(c1n[nH]c(c1)[B-](F)(F)F)(C)C.[K+]
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.06g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.083g/mol
Monoisotopic Mass:
230.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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