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Home Boronic acids 3-Methoxycarbonyl-5-nitrophenylboronic acid

3-Methoxycarbonyl-5-nitrophenylboronic acid

CAS No.:
117342-20-8
Catalog Number:
AG000E5Q
Molecular Formula:
C8H8BNO6
Molecular Weight:
224.9632
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$25
- +
5g
97%
In Stock USA
United States
$63
- +
10g
97%
In Stock USA
United States
$113
- +
25g
97%
In Stock USA
United States
$225
- +
100g
97%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG000E5Q
Chemical Name:
3-Methoxycarbonyl-5-nitrophenylboronic acid
CAS Number:
117342-20-8
Molecular Formula:
C8H8BNO6
Molecular Weight:
224.9632
MDL Number:
MFCD02179469
IUPAC Name:
(3-methoxycarbonyl-5-nitrophenyl)boronic acid
InChI:
InChI=1S/C8H8BNO6/c1-16-8(11)5-2-6(9(12)13)4-7(3-5)10(14)15/h2-4,12-13H,1H3
InChI Key:
CDGIRLKQNJXHBJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)[N+](=O)[O-])B(O)O
Properties
Complexity:
278  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.044g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
224.963g/mol
Monoisotopic Mass:
225.044g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
3-Methoxycarbonyl-5-nitrophenyl boronic acid: high affinity diol recognition at neutral pH. Bioorganic & medicinal chemistry letters 20040105
Properties