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Home > Imidazoles > 88158-40-1
88158-40-1 | Ethanone, 1-[2-(4-pyridinyl)-1H-imidazol-4-yl]-
CAS No: 88158-40-1 Catalog No: AG004CRS MDL No:
Product Description
Catalog Number:
AG004CRS
Chemical Name:
Ethanone, 1-[2-(4-pyridinyl)-1H-imidazol-4-yl]-
CAS Number:
88158-40-1
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
IUPAC Name:
1-(2-pyridin-4-yl-1H-imidazol-5-yl)ethanone
InChI:
InChI=1S/C10H9N3O/c1-7(14)9-6-12-10(13-9)8-2-4-11-5-3-8/h2-6H,1H3,(H,12,13)
InChI Key:
ARZDJRFNVBYHBA-UHFFFAOYSA-N
SMILES:
CC(=O)c1c[nH]c(n1)c1ccncc1
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.202g/mol
Monoisotopic Mass:
187.075g/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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