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Home > Boronic Acids > 957034-87-6
957034-87-6 | (2-(Piperidin-1-ylsulfonyl);phenyl);boronic acid
CAS No: 957034-87-6 Catalog No: AG006BSJ MDL No:MFCD09475844
Product Description
Catalog Number:
AG006BSJ
Chemical Name:
(2-(Piperidin-1-ylsulfonyl);phenyl);boronic acid
CAS Number:
957034-87-6
Molecular Formula:
C11H16BNO4S
Molecular Weight:
269.1250
MDL Number:
MFCD09475844
IUPAC Name:
(2-piperidin-1-ylsulfonylphenyl)boronic acid
InChI:
InChI=1S/C11H16BNO4S/c14-12(15)10-6-2-3-7-11(10)18(16,17)13-8-4-1-5-9-13/h2-3,6-7,14-15H,1,4-5,8-9H2
InChI Key:
PTSWGJSCDHDBRA-UHFFFAOYSA-N
SMILES:
OB(c1ccccc1S(=O)(=O)N1CCCCC1)O
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.089g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.122g/mol
Monoisotopic Mass:
269.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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