Home Boronic acids 5-(Methoxycarbonyl)pyrrole-2-boronic acid

5-(Methoxycarbonyl)pyrrole-2-boronic acid

CAS No.:
1217500-64-5
Catalog Number:
AG0015R8
Molecular Formula:
C6H8BNO4
Molecular Weight:
168.9430
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$250
- +
1g
95%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG0015R8
Chemical Name:
5-(Methoxycarbonyl)pyrrole-2-boronic acid
CAS Number:
1217500-64-5
Molecular Formula:
C6H8BNO4
Molecular Weight:
168.9430
MDL Number:
MFCD15143454
IUPAC Name:
(5-methoxycarbonyl-1H-pyrrol-2-yl)boronic acid
InChI:
InChI=1S/C6H8BNO4/c1-12-6(9)4-2-3-5(8-4)7(10)11/h2-3,8,10-11H,1H3
InChI Key:
OERJCWGVVLKNIL-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc([nH]1)B(O)O
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.055g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
168.943g/mol
Monoisotopic Mass:
169.055g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties