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Home > Boronic Acids > 690662-96-5
690662-96-5 | (3-(Piperidin-1-ylsulfonyl)phenyl)boronic acid
CAS No: 690662-96-5 Catalog No: AG005LRD MDL No:MFCD07783850
Product Description
Catalog Number:
AG005LRD
Chemical Name:
(3-(Piperidin-1-ylsulfonyl)phenyl)boronic acid
CAS Number:
690662-96-5
Molecular Formula:
C11H16BNO4S
Molecular Weight:
269.1250
MDL Number:
MFCD07783850
IUPAC Name:
(3-piperidin-1-ylsulfonylphenyl)boronic acid
InChI:
InChI=1S/C11H16BNO4S/c14-12(15)10-5-4-6-11(9-10)18(16,17)13-7-2-1-3-8-13/h4-6,9,14-15H,1-3,7-8H2
InChI Key:
HQOWPGGTRBFYFE-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)S(=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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