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Home > Boronic Acids > 913836-00-7
913836-00-7 | 4-Boronobenzenesulfonic acid
CAS No: 913836-00-7 Catalog No: AG006NAB MDL No:MFCD09027231
Product Description
Catalog Number:
AG006NAB
Chemical Name:
4-Boronobenzenesulfonic acid
CAS Number:
913836-00-7
Molecular Formula:
C6H7BO5S
Molecular Weight:
201.9928
MDL Number:
MFCD09027231
IUPAC Name:
4-boronobenzenesulfonic acid
InChI:
InChI=1S/C6H7BO5S/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4,8-9H,(H,10,11,12)
InChI Key:
LCPDRGMZQSQOCQ-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)S(=O)(=O)O)O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.011g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
201.987g/mol
Monoisotopic Mass:
202.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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