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Home > Boronic Acids > 957035-04-0
957035-04-0 | (4-methylsulfonyloxyphenyl)boronic acid
CAS No: 957035-04-0 Catalog No: AG00IJD8 MDL No:MFCD09475864
Product Description
Catalog Number:
AG00IJD8
Chemical Name:
(4-methylsulfonyloxyphenyl)boronic acid
CAS Number:
957035-04-0
Molecular Formula:
C7H9BO5S
Molecular Weight:
216.0194
MDL Number:
MFCD09475864
IUPAC Name:
(4-methylsulfonyloxyphenyl)boronic acid
InChI:
InChI=1S/C7H9BO5S/c1-14(11,12)13-7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3
InChI Key:
OCARLQIMSVDSQE-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)OS(=O)(=O)C)O
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.026g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.014g/mol
Monoisotopic Mass:
216.026g/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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