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Home > Boronic Acids > 874219-18-8
874219-18-8 | (4-Methoxy-3-(piperidin-1-ylsulfonyl);phenyl);boronic acid
CAS No: 874219-18-8 Catalog No: AG008DKP MDL No:MFCD08235037
Product Description
Catalog Number:
AG008DKP
Chemical Name:
(4-Methoxy-3-(piperidin-1-ylsulfonyl);phenyl);boronic acid
CAS Number:
874219-18-8
Molecular Formula:
C12H18BNO5S
Molecular Weight:
299.1510
MDL Number:
MFCD08235037
IUPAC Name:
(4-methoxy-3-piperidin-1-ylsulfonylphenyl)boronic acid
InChI:
InChI=1S/C12H18BNO5S/c1-19-11-6-5-10(13(15)16)9-12(11)20(17,18)14-7-3-2-4-8-14/h5-6,9,15-16H,2-4,7-8H2,1H3
InChI Key:
DRXNMNKYEDFECK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1S(=O)(=O)N1CCCCC1)B(O)O
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.148g/mol
Monoisotopic Mass:
299.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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