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Home > Fluorides > 850623-48-2
850623-48-2 | Potassium trifluoro(3-(methylthio);phenyl);borate
CAS No: 850623-48-2 Catalog No: AG003TV5 MDL No:MFCD04115747
Product Description
Catalog Number:
AG003TV5
Chemical Name:
Potassium trifluoro(3-(methylthio);phenyl);borate
CAS Number:
850623-48-2
Molecular Formula:
C7H7BF3KS
Molecular Weight:
230.1000
MDL Number:
MFCD04115747
IUPAC Name:
potassium;trifluoro-(3-methylsulfanylphenyl)boranuide
InChI:
InChI=1S/C7H7BF3S.K/c1-12-7-4-2-3-6(5-7)8(9,10)11;/h2-5H,1H3;/q-1;+1
InChI Key:
KYUGCBOZKRZMHW-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)[B-](F)(F)F.[K+]
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.995g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.097g/mol
Monoisotopic Mass:
229.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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