Home Nitriles 2-[4-(1H-imidazol-1-yl)phenyl]acetonitrile

2-[4-(1H-imidazol-1-yl)phenyl]acetonitrile

CAS No.:
143426-57-7
Catalog Number:
AG01B23D
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
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Product Description
Catalog Number:
AG01B23D
Chemical Name:
2-[4-(1H-imidazol-1-yl)phenyl]acetonitrile
CAS Number:
143426-57-7
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
MDL Number:
MFCD09923875
IUPAC Name:
2-(4-imidazol-1-ylphenyl)acetonitrile
InChI:
InChI=1S/C11H9N3/c12-6-5-10-1-3-11(4-2-10)14-8-7-13-9-14/h1-4,7-9H,5H2
InChI Key:
AOZFOGBVCGZTHH-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)n1ccnc1
Properties
Complexity:
222  
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:
1.3  
Properties