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Home > Boronic Acids > 1042443-60-6
1042443-60-6 | (2-(Ethylsulfonyl)phenyl)boronic acid
CAS No: 1042443-60-6 Catalog No: AG007I7V MDL No:MFCD03095198
Product Description
Catalog Number:
AG007I7V
Chemical Name:
(2-(Ethylsulfonyl)phenyl)boronic acid
CAS Number:
1042443-60-6
Molecular Formula:
C8H11BO4S
Molecular Weight:
214.0465
MDL Number:
MFCD03095198
IUPAC Name:
(2-ethylsulfonylphenyl)boronic acid
InChI:
InChI=1S/C8H11BO4S/c1-2-14(12,13)8-6-4-3-5-7(8)9(10)11/h3-6,10-11H,2H2,1H3
InChI Key:
GNCPGKLAKBQXAU-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1ccccc1B(O)O
Properties
Complexity:
270
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:
3
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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