Home Nitriles 4-(3,5-Dimethylpyrazol-1-yl)benzonitrile

4-(3,5-Dimethylpyrazol-1-yl)benzonitrile

CAS No.:
56935-79-6
Catalog Number:
AG00EDUY
Molecular Formula:
C12H11N3
Molecular Weight:
197.2358
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$63
- +
5g
98%
In Stock USA
United States
$188
- +
10g
98%
In Stock USA
United States
$313
- +
25g
98%
In Stock USA
United States
$563
- +
100g
98%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG00EDUY
Chemical Name:
4-(3,5-Dimethylpyrazol-1-yl)benzonitrile
CAS Number:
56935-79-6
Molecular Formula:
C12H11N3
Molecular Weight:
197.2358
MDL Number:
MFCD09817559
IUPAC Name:
4-(3,5-dimethylpyrazol-1-yl)benzonitrile
InChI:
InChI=1S/C12H11N3/c1-9-7-10(2)15(14-9)12-5-3-11(8-13)4-6-12/h3-7H,1-2H3
InChI Key:
BTXLPDNFEZIQBZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)n1nc(cc1C)C
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.241g/mol
Monoisotopic Mass:
197.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties