Home Boronic acids 5-Cyano-1,2-dimethylpyrrole-3-boronic acid, pinacol ester

5-Cyano-1,2-dimethylpyrrole-3-boronic acid, pinacol ester

CAS No.:
863868-51-3
Catalog Number:
AG003MP9
Molecular Formula:
C13H19BN2O2
Molecular Weight:
246.1132
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$250
- +
1g
95%
In Stock USA
United States
$625
- +
5g
95%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG003MP9
Chemical Name:
5-Cyano-1,2-dimethylpyrrole-3-boronic acid, pinacol ester
CAS Number:
863868-51-3
Molecular Formula:
C13H19BN2O2
Molecular Weight:
246.1132
MDL Number:
MFCD13195764
IUPAC Name:
1,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-2-carbonitrile
InChI:
InChI=1S/C13H19BN2O2/c1-9-11(7-10(8-15)16(9)6)14-17-12(2,3)13(4,5)18-14/h7H,1-6H3
InChI Key:
XSFSSCXBYWRZLI-UHFFFAOYSA-N
SMILES:
N#Cc1cc(c(n1C)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
372  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.154g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.117g/mol
Monoisotopic Mass:
246.154g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties