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Home > Imidazoles > 890095-00-8
890095-00-8 | (1H-IMIDAZOL-2-YL)-PYRIDIN-4-YL-METHANONE
CAS No: 890095-00-8 Catalog No: AG00GY9U MDL No:MFCD08061283
Product Description
Catalog Number:
AG00GY9U
Chemical Name:
(1H-IMIDAZOL-2-YL)-PYRIDIN-4-YL-METHANONE
CAS Number:
890095-00-8
Molecular Formula:
C9H7N3O
Molecular Weight:
173.1714
MDL Number:
MFCD08061283
IUPAC Name:
1H-imidazol-2-yl(pyridin-4-yl)methanone
InChI:
InChI=1S/C9H7N3O/c13-8(9-11-5-6-12-9)7-1-3-10-4-2-7/h1-6H,(H,11,12)
InChI Key:
IGCIZPNADAAYAN-UHFFFAOYSA-N
SMILES:
O=C(c1ncc[nH]1)c1ccncc1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.175g/mol
Monoisotopic Mass:
173.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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