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Home > Boronic Acids > 1451392-61-2
1451392-61-2 | [4-methyl-6-(methylsulfanyl)pyridin-3-yl]boronic acid
CAS No: 1451392-61-2 Catalog No: AG01B98E MDL No:MFCD22543734
Product Description
Catalog Number:
AG01B98E
Chemical Name:
[4-methyl-6-(methylsulfanyl)pyridin-3-yl]boronic acid
CAS Number:
1451392-61-2
Molecular Formula:
C7H10BNO2S
Molecular Weight:
183.0358
MDL Number:
MFCD22543734
IUPAC Name:
(4-methyl-6-methylsulfanylpyridin-3-yl)boronic acid
InChI:
InChI=1S/C7H10BNO2S/c1-5-3-7(12-2)9-4-6(5)8(10)11/h3-4,10-11H,1-2H3
InChI Key:
SQGAAWVIWZTDRD-UHFFFAOYSA-N
SMILES:
CSc1ncc(c(c1)C)B(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:
183.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.032g/mol
Monoisotopic Mass:
183.053g/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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