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477251-98-2

477251-98-2 | (5-(Methylthio);pyridin-3-yl);boronic acid

CAS No: 477251-98-2 Catalog No: AG006ZQG MDL No:MFCD08689538

Product Description

Catalog Number:
AG006ZQG
Chemical Name:
(5-(Methylthio);pyridin-3-yl);boronic acid
CAS Number:
477251-98-2
Molecular Formula:
C6H8BNO2S
Molecular Weight:
169.0092
MDL Number:
MFCD08689538
IUPAC Name:
(5-methylsulfanylpyridin-3-yl)boronic acid
InChI:
InChI=1S/C6H8BNO2S/c1-11-6-2-5(7(9)10)3-8-4-6/h2-4,9-10H,1H3
InChI Key:
QNLQSEKMIZSQOG-UHFFFAOYSA-N
SMILES:
CSc1cncc(c1)B(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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