Home Nitriles 1-Phenyl-1h-pyrazole-4-carbonitrile

1-Phenyl-1h-pyrazole-4-carbonitrile

CAS No.:
709-04-6
Catalog Number:
AG0062ZJ
Molecular Formula:
C10H7N3
Molecular Weight:
169.1827
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$214
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Product Description
Catalog Number:
AG0062ZJ
Chemical Name:
1-Phenyl-1h-pyrazole-4-carbonitrile
CAS Number:
709-04-6
Molecular Formula:
C10H7N3
Molecular Weight:
169.1827
MDL Number:
MFCD08691162
IUPAC Name:
1-phenylpyrazole-4-carbonitrile
InChI:
InChI=1S/C10H7N3/c11-6-9-7-12-13(8-9)10-4-2-1-3-5-10/h1-5,7-8H
InChI Key:
QXUOMWCBAUSGQT-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1)c1ccccc1
Properties
Complexity:
212  
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