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Home > Imidazoles > 488115-43-1
488115-43-1 | 3-(1H-IMIDAZOL-2-YL)-BENZONITRILE
CAS No: 488115-43-1 Catalog No: AG00DFOB MDL No:
Product Description
Catalog Number:
AG00DFOB
Chemical Name:
3-(1H-IMIDAZOL-2-YL)-BENZONITRILE
CAS Number:
488115-43-1
IUPAC Name:
3-(1H-imidazol-2-yl)benzonitrile
InChI:
InChI=1S/C10H7N3/c11-7-8-2-1-3-9(6-8)10-12-4-5-13-10/h1-6H,(H,12,13)
InChI Key:
QERNRIRJJZUTJA-UHFFFAOYSA-N
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
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