Home Nitriles 4-(1H-Pyrazol-4-yl)benzonitrile

4-(1H-Pyrazol-4-yl)benzonitrile

CAS No.:
1101167-56-9
Catalog Number:
AG00HBOG
Molecular Formula:
C10H7N3
Molecular Weight:
169.1827
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$225
- +
1g
95%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG00HBOG
Chemical Name:
4-(1H-Pyrazol-4-yl)benzonitrile
CAS Number:
1101167-56-9
Molecular Formula:
C10H7N3
Molecular Weight:
169.1827
MDL Number:
MFCD11933267
IUPAC Name:
4-(1H-pyrazol-4-yl)benzonitrile
InChI:
InChI=1S/C10H7N3/c11-5-8-1-3-9(4-2-8)10-6-12-13-7-10/h1-4,6-7H,(H,12,13)
InChI Key:
PLBUGUJAPLDUKA-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1c[nH]nc1
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.064g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.187g/mol
Monoisotopic Mass:
169.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties