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Home > Fluorides > 1402242-82-3
1402242-82-3 | Borate(1-), trifluoro[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-, potassium (1:1), (T-4)-
CAS No: 1402242-82-3 Catalog No: AG001C60 MDL No:MFCD25948966
Product Description
Catalog Number:
AG001C60
Chemical Name:
Borate(1-), trifluoro[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-, potassium (1:1), (T-4)-
CAS Number:
1402242-82-3
Molecular Formula:
C10H9BF3KN2O
Molecular Weight:
280.0958
MDL Number:
MFCD25948966
IUPAC Name:
potassium;trifluoro-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]boranuide
InChI:
InChI=1S/C10H9BF3N2O.K/c1-17-8-4-2-7(3-5-8)9-6-10(16-15-9)11(12,13)14;/h2-6H,1H3,(H,15,16);/q-1;+1
InChI Key:
UURIWWYJJDNYGQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1n[nH]c(c1)[B-](F)(F)F.[K+]
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.04g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.099g/mol
Monoisotopic Mass:
280.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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