Home Nitriles 2-(1H-Pyrazol-1-yl)benzonitrile

2-(1H-Pyrazol-1-yl)benzonitrile

CAS No.:
25775-03-5
Catalog Number:
AG00BCPE
Molecular Formula:
C10H7N3
Molecular Weight:
169.1827
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$62
- +
5g
98%
In Stock USA
United States
$188
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00BCPE
Chemical Name:
2-(1H-Pyrazol-1-yl)benzonitrile
CAS Number:
25775-03-5
Molecular Formula:
C10H7N3
Molecular Weight:
169.1827
MDL Number:
MFCD07772802
IUPAC Name:
2-pyrazol-1-ylbenzonitrile
InChI:
InChI=1S/C10H7N3/c11-8-9-4-1-2-5-10(9)13-7-3-6-12-13/h1-7H
InChI Key:
FMURBLXVPMFBMG-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1n1cccn1
Properties
Complexity:
218  
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:
0
Isotope Atom Count:
0
Molecular Weight:
169.187g/mol
Monoisotopic Mass:
169.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties