Home Sulfos Boronic acid, B-[2-methyl-3-(methylsulfonyl)phenyl]-

Boronic acid, B-[2-methyl-3-(methylsulfonyl)phenyl]-

CAS No.:
1313617-69-4
Catalog Number:
AG000VZK
Molecular Formula:
C8H11BO4S
Molecular Weight:
214.0465
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Product Description
Catalog Number:
AG000VZK
Chemical Name:
Boronic acid, B-[2-methyl-3-(methylsulfonyl)phenyl]-
CAS Number:
1313617-69-4
Molecular Formula:
C8H11BO4S
Molecular Weight:
214.0465
MDL Number:
MFCD28009326
IUPAC Name:
(2-methyl-3-methylsulfonylphenyl)boronic acid
InChI:
InChI=1S/C8H11BO4S/c1-6-7(9(10)11)4-3-5-8(6)14(2,12)13/h3-5,10-11H,1-2H3
InChI Key:
QOMZNEHQVPYMTH-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1C)S(=O)(=O)C)O
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.047g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
214.042g/mol
Monoisotopic Mass:
214.047g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties