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

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

CAS No.:
546142-08-9
Catalog Number:
AG00E8FF
Molecular Formula:
C16H18BN3O2
Molecular Weight:
295.1440
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$304
- +
1g
95%
In Stock USA
United States
$759
- +
5g
95%
In Stock USA
United States
$2275
- +
Product Description
Catalog Number:
AG00E8FF
Chemical Name:
3-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl)benzonitrile
CAS Number:
546142-08-9
Molecular Formula:
C16H18BN3O2
Molecular Weight:
295.1440
MDL Number:
MFCD18383288
IUPAC Name:
3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]benzonitrile
InChI:
InChI=1S/C16H18BN3O2/c1-15(2)16(3,4)22-17(21-15)13-10-19-20(11-13)14-7-5-6-12(8-14)9-18/h5-8,10-11H,1-4H3
InChI Key:
APMKAYJGHHCBBR-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)n1ncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
457  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.149g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.149g/mol
Monoisotopic Mass:
295.149g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
60.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties