Home Nitriles 2-(1-phenyl-1H-pyrazol-3-yl)acetonitrile

2-(1-phenyl-1H-pyrazol-3-yl)acetonitrile

CAS No.:
1343099-23-9
Catalog Number:
AG01C1UN
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
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Product Description
Catalog Number:
AG01C1UN
Chemical Name:
2-(1-phenyl-1H-pyrazol-3-yl)acetonitrile
CAS Number:
1343099-23-9
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
MDL Number:
MFCD17241439
IUPAC Name:
2-(1-phenylpyrazol-3-yl)acetonitrile
InChI:
InChI=1S/C11H9N3/c12-8-6-10-7-9-14(13-10)11-4-2-1-3-5-11/h1-5,7,9H,6H2
InChI Key:
IJNRBGYVKVGQMR-UHFFFAOYSA-N
SMILES:
N#CCc1ccn(n1)c1ccccc1
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.08g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.214g/mol
Monoisotopic Mass:
183.08g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties