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Home Nitriles 2-(1H-Pyrazol-1-yl);acetonitrile

2-(1H-Pyrazol-1-yl);acetonitrile

CAS No.:
113336-22-4
Catalog Number:
AG0079A0
Molecular Formula:
C5H5N3
Molecular Weight:
107.1133
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Product Description
Catalog Number:
AG0079A0
Chemical Name:
2-(1H-Pyrazol-1-yl);acetonitrile
CAS Number:
113336-22-4
Molecular Formula:
C5H5N3
Molecular Weight:
107.1133
MDL Number:
MFCD04971123
IUPAC Name:
2-pyrazol-1-ylacetonitrile
InChI:
InChI=1S/C5H5N3/c6-2-5-8-4-1-3-7-8/h1,3-4H,5H2
InChI Key:
KQULXIRGBBDZKY-UHFFFAOYSA-N
SMILES:
N#CCn1cccn1
Properties
Complexity:
112  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
107.048g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
107.116g/mol
Monoisotopic Mass:
107.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Literature
Title Journal
Carbon-carbon-linked (pyrazolylphenyl)oxazolidinones with antibacterial activity against multiple drug resistant gram-positive and fastidious gram-negative bacteria. Bioorganic & medicinal chemistry 20011201
Properties