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Home > Boronic Acids > 501944-42-9
501944-42-9 | 5-Fluorobenzothiophene-2-boronic acid
CAS No: 501944-42-9 Catalog No: AG00DI2D MDL No:MFCD09952068
Product Description
Catalog Number:
AG00DI2D
Chemical Name:
5-Fluorobenzothiophene-2-boronic acid
CAS Number:
501944-42-9
Molecular Formula:
C8H6BFO2S
Molecular Weight:
196.0064
MDL Number:
MFCD09952068
IUPAC Name:
(5-fluoro-1-benzothiophen-2-yl)boronic acid
InChI:
InChI=1S/C8H6BFO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4,11-12H
InChI Key:
DGEAJPZHUYFBGZ-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)cc(s2)B(O)O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.002g/mol
Monoisotopic Mass:
196.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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