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Home > Fluorides > 1402242-81-2
1402242-81-2 | Borate(1-), trifluoro(5-phenyl-1H-pyrazol-3-yl)-, potassium (1:1), (T-4)-
CAS No: 1402242-81-2 Catalog No: AG001C61 MDL No:MFCD25948965
Product Description
Catalog Number:
AG001C61
Chemical Name:
Borate(1-), trifluoro(5-phenyl-1H-pyrazol-3-yl)-, potassium (1:1), (T-4)-
CAS Number:
1402242-81-2
Molecular Formula:
C9H7BF3KN2
Molecular Weight:
250.0698
MDL Number:
MFCD25948965
IUPAC Name:
potassium;trifluoro-(3-phenyl-1H-pyrazol-5-yl)boranuide
InChI:
InChI=1S/C9H7BF3N2.K/c11-10(12,13)9-6-8(14-15-9)7-4-2-1-3-5-7;/h1-6H,(H,14,15);/q-1;+1
InChI Key:
JFNRZGHHNDAFTQ-UHFFFAOYSA-N
SMILES:
F[B-](c1[nH]nc(c1)c1ccccc1)(F)F.[K+]
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.029g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.073g/mol
Monoisotopic Mass:
250.029g/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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