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Home > Boronic Acids > 1313617-68-3
1313617-68-3 | (4-Methanesulfonyl-3-methoxyphenyl)boronic acid
CAS No: 1313617-68-3 Catalog No: AG00HSFT MDL No:MFCD27935712
Product Description
Catalog Number:
AG00HSFT
Chemical Name:
(4-Methanesulfonyl-3-methoxyphenyl)boronic acid
CAS Number:
1313617-68-3
Molecular Formula:
C8H11BO5S
Molecular Weight:
230.0459
MDL Number:
MFCD27935712
IUPAC Name:
(3-methoxy-4-methylsulfonylphenyl)boronic acid
InChI:
InChI=1S/C8H11BO5S/c1-14-7-5-6(9(10)11)3-4-8(7)15(2,12)13/h3-5,10-11H,1-2H3
InChI Key:
SRUUTBYHOBCTHT-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1S(=O)(=O)C)B(O)O
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.041g/mol
Monoisotopic Mass:
230.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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