Home Nitriles 1-tert-Butyl-1H-pyrazole-4-carbonitrile

1-tert-Butyl-1H-pyrazole-4-carbonitrile

CAS No.:
149139-43-5
Catalog Number:
AG001LF8
Molecular Formula:
C8H11N3
Molecular Weight:
149.1930
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$57
- +
5g
98%
In Stock USA
United States
$169
- +
25g
98%
In Stock USA
United States
$619
- +
100g
98%
In Stock USA
United States
$1875
- +
Product Description
Catalog Number:
AG001LF8
Chemical Name:
1-tert-Butyl-1H-pyrazole-4-carbonitrile
CAS Number:
149139-43-5
Molecular Formula:
C8H11N3
Molecular Weight:
149.1930
MDL Number:
MFCD16620377
IUPAC Name:
1-tert-butylpyrazole-4-carbonitrile
InChI:
InChI=1S/C8H11N3/c1-8(2,3)11-6-7(4-9)5-10-11/h5-6H,1-3H3
InChI Key:
MPAMGIZXDRTXEW-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1)C(C)(C)C
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.095g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.197g/mol
Monoisotopic Mass:
149.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties