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Home > Boronic Acids > 1256345-89-7
1256345-89-7 | Boronic acid, B-[6-(butylthio)-3-pyridinyl]-
CAS No: 1256345-89-7 Catalog No: AG000O0Q MDL No:MFCD16036107
Product Description
Catalog Number:
AG000O0Q
Chemical Name:
Boronic acid, B-[6-(butylthio)-3-pyridinyl]-
CAS Number:
1256345-89-7
Molecular Formula:
C9H14BNO2S
Molecular Weight:
211.0890
MDL Number:
MFCD16036107
IUPAC Name:
(6-butylsulfanylpyridin-3-yl)boronic acid
InChI:
InChI=1S/C9H14BNO2S/c1-2-3-6-14-9-5-4-8(7-11-9)10(12)13/h4-5,7,12-13H,2-3,6H2,1H3
InChI Key:
VTOUPYDFQWNMCB-UHFFFAOYSA-N
SMILES:
CCCCSc1ccc(cn1)B(O)O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.086g/mol
Monoisotopic Mass:
211.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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