Home Nitriles 3-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl)propanenitrile

3-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl)propanenitrile

CAS No.:
1022092-33-6
Catalog Number:
AG0006X1
Molecular Formula:
C12H18BN3O2
Molecular Weight:
247.1012
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$63
- +
1g
98%
In Stock USA
United States
$163
- +
5g
98%
In Stock USA
United States
$500
- +
Product Description
Catalog Number:
AG0006X1
Chemical Name:
3-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl)propanenitrile
CAS Number:
1022092-33-6
Molecular Formula:
C12H18BN3O2
Molecular Weight:
247.1012
MDL Number:
MFCD16660233
IUPAC Name:
3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanenitrile
InChI:
InChI=1S/C12H18BN3O2/c1-11(2)12(3,4)18-13(17-11)10-8-15-16(9-10)7-5-6-14/h8-9H,5,7H2,1-4H3
InChI Key:
LUKJAULGXVGMSP-UHFFFAOYSA-N
SMILES:
N#CCCn1ncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
348  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.149g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.105g/mol
Monoisotopic Mass:
247.149g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties