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Home > Boronic Acids > 1072944-21-8
1072944-21-8 | (2-(Methylthio)pyridin-3-yl)boronic acid
CAS No: 1072944-21-8 Catalog No: AG003BK7 MDL No:MFCD09037488
Product Description
Catalog Number:
AG003BK7
Chemical Name:
(2-(Methylthio)pyridin-3-yl)boronic acid
CAS Number:
1072944-21-8
Molecular Formula:
C6H8BNO2S
Molecular Weight:
169.0092
MDL Number:
MFCD09037488
IUPAC Name:
(2-methylsulfanylpyridin-3-yl)boronic acid
InChI:
InChI=1S/C6H8BNO2S/c1-11-6-5(7(9)10)3-2-4-8-6/h2-4,9-10H,1H3
InChI Key:
QLZLLRKAZYHWTE-UHFFFAOYSA-N
SMILES:
CSc1ncccc1B(O)O
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.037g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.005g/mol
Monoisotopic Mass:
169.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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