Home Boronic Acids 845870-47-5
845870-47-5,MFCD03095257
Catalog No.:AA003I5E
845870-47-5 | 3-Ethylsulfonylphenylboronic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$215.00   $150.00
- +
5g
98%
in stock  
$739.00   $517.00
- +
10g
98%
in stock  
$1,270.00   $889.00
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Technical Information
Catalog Number:
AA003I5E
Chemical Name:
3-Ethylsulfonylphenylboronic acid
CAS Number:
845870-47-5
Molecular Formula:
C8H11BO4S
Molecular Weight:
214.0465
MDL Number:
MFCD03095257
IUPAC Name:
(3-ethylsulfonylphenyl)boronic acid
InChI:
InChI=1S/C8H11BO4S/c1-2-14(12,13)8-5-3-4-7(6-8)9(10)11/h3-6,10-11H,2H2,1H3
InChI Key:
YGPHBSVMNUNGBH-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1cccc(c1)B(O)O
Properties
Computed 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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