Home Nitriles Benzonitrile, 3-(1H-pyrazol-3-yl)-

Benzonitrile, 3-(1H-pyrazol-3-yl)-

CAS No.:
149739-51-5
Catalog Number:
AG001LYV
Molecular Formula:
C10H7N3
Molecular Weight:
169.1827
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Product Description
Catalog Number:
AG001LYV
Chemical Name:
Benzonitrile, 3-(1H-pyrazol-3-yl)-
CAS Number:
149739-51-5
Molecular Formula:
C10H7N3
Molecular Weight:
169.1827
MDL Number:
MFCD09860597
IUPAC Name:
3-(1H-pyrazol-5-yl)benzonitrile
InChI:
InChI=1S/C10H7N3/c11-7-8-2-1-3-9(6-8)10-4-5-12-13-10/h1-6H,(H,12,13)
InChI Key:
WQWOJXMJOXAWKH-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1n[nH]cc1
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:
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