Home Nitriles 1,3-Dimethyl-1h-pyrazole-4-carbonitrile

1,3-Dimethyl-1h-pyrazole-4-carbonitrile

CAS No.:
87412-96-2
Catalog Number:
AG00IEIE
Molecular Formula:
C6H7N3
Molecular Weight:
121.1399
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
- +
5g
95%
In Stock USA
United States
$671
- +
Product Description
Catalog Number:
AG00IEIE
Chemical Name:
1,3-Dimethyl-1h-pyrazole-4-carbonitrile
CAS Number:
87412-96-2
Molecular Formula:
C6H7N3
Molecular Weight:
121.1399
MDL Number:
MFCD04969706
IUPAC Name:
1,3-dimethylpyrazole-4-carbonitrile
InChI:
InChI=1S/C6H7N3/c1-5-6(3-7)4-9(2)8-5/h4H,1-2H3
InChI Key:
XOFOOXWGRXHZKD-UHFFFAOYSA-N
SMILES:
N#Cc1cn(nc1C)C
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.064g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.143g/mol
Monoisotopic Mass:
121.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties