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Home > Boronic Acids > 871333-00-5
871333-00-5 | (2-Methyl-5-(piperidin-1-ylsulfonyl)phenyl)boronic acid
CAS No: 871333-00-5 Catalog No: AG0036C3 MDL No:MFCD08056364
Product Description
Catalog Number:
AG0036C3
Chemical Name:
(2-Methyl-5-(piperidin-1-ylsulfonyl)phenyl)boronic acid
CAS Number:
871333-00-5
Molecular Formula:
C12H18BNO4S
Molecular Weight:
283.1516
MDL Number:
MFCD08056364
IUPAC Name:
(2-methyl-5-piperidin-1-ylsulfonylphenyl)boronic acid
InChI:
InChI=1S/C12H18BNO4S/c1-10-5-6-11(9-12(10)13(15)16)19(17,18)14-7-3-2-4-8-14/h5-6,9,15-16H,2-4,7-8H2,1H3
InChI Key:
QPJRVQFTOJXHOV-UHFFFAOYSA-N
SMILES:
OB(c1cc(ccc1C)S(=O)(=O)N1CCCCC1)O
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.149g/mol
Monoisotopic Mass:
283.105g/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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