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Home > Boronic Acids > 850567-98-5
850567-98-5 | 4-(Isopropylsulphonyl)benzeneboronic acid
CAS No: 850567-98-5 Catalog No: AG004SIC MDL No:MFCD06659866
Product Description
Catalog Number:
AG004SIC
Chemical Name:
4-(Isopropylsulphonyl)benzeneboronic acid
CAS Number:
850567-98-5
Molecular Formula:
C9H13BO4S
Molecular Weight:
228.0731
MDL Number:
MFCD06659866
IUPAC Name:
(4-propan-2-ylsulfonylphenyl)boronic acid
InChI:
InChI=1S/C9H13BO4S/c1-7(2)15(13,14)9-5-3-8(4-6-9)10(11)12/h3-7,11-12H,1-2H3
InChI Key:
IGJLXIUSOMMUIV-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)S(=O)(=O)C(C)C)O
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.069g/mol
Monoisotopic Mass:
228.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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