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Home > Boronic Acids > 501944-48-5
501944-48-5 | Boronic acid, [4'-(methylthio)[1,1'-biphenyl]-4-yl]-
CAS No: 501944-48-5 Catalog No: AG00I8Z7 MDL No:
Product Description
Catalog Number:
AG00I8Z7
Chemical Name:
Boronic acid, [4'-(methylthio)[1,1'-biphenyl]-4-yl]-
CAS Number:
501944-48-5
IUPAC Name:
[4-(4-methylsulfanylphenyl)phenyl]boronic acid
InChI:
InChI=1S/C13H13BO2S/c1-17-13-8-4-11(5-9-13)10-2-6-12(7-3-10)14(15)16/h2-9,15-16H,1H3
InChI Key:
XFMILVCZAHDOIM-UHFFFAOYSA-N
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.115g/mol
Monoisotopic Mass:
244.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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