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Home > Boronic Acids > 1217500-99-6
1217500-99-6 | Boronic acid, B-[4-[(2-methylpropyl)sulfonyl]phenyl]-
CAS No: 1217500-99-6 Catalog No: AG0015RP MDL No:MFCD06659866
Product Description
Catalog Number:
AG0015RP
Chemical Name:
Boronic acid, B-[4-[(2-methylpropyl)sulfonyl]phenyl]-
CAS Number:
1217500-99-6
Molecular Formula:
C10H15BO4S
Molecular Weight:
242.0997
MDL Number:
MFCD06659866
IUPAC Name:
[4-(2-methylpropylsulfonyl)phenyl]boronic acid
InChI:
InChI=1S/C10H15BO4S/c1-8(2)7-16(14,15)10-5-3-9(4-6-10)11(12)13/h3-6,8,12-13H,7H2,1-2H3
InChI Key:
WGYQGDKMBFOTGS-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)S(=O)(=O)CC(C)C)O
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.078g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.096g/mol
Monoisotopic Mass:
242.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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