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Home > Boronic Acids > 861931-38-6
861931-38-6 | 4-Fluoro-2-(methylthio)phenylboronic acid
CAS No: 861931-38-6 Catalog No: AG004K5X MDL No:MFCD18087696
Product Description
Catalog Number:
AG004K5X
Chemical Name:
4-Fluoro-2-(methylthio)phenylboronic acid
CAS Number:
861931-38-6
Molecular Formula:
C7H8BFO2S
Molecular Weight:
186.0116
MDL Number:
MFCD18087696
IUPAC Name:
(4-fluoro-2-methylsulfanylphenyl)boronic acid
InChI:
InChI=1S/C7H8BFO2S/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4,10-11H,1H3
InChI Key:
BAPCTRHEOVOYPW-UHFFFAOYSA-N
SMILES:
CSc1cc(F)ccc1B(O)O
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.032g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.007g/mol
Monoisotopic Mass:
186.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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