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20513-61-5 | Ethanone, 1-[2-(1H-imidazol-1-yl)phenyl]-
CAS No: 20513-61-5 Catalog No: AG0029WI MDL No:MFCD00127221
Product Description
Catalog Number:
AG0029WI
Chemical Name:
Ethanone, 1-[2-(1H-imidazol-1-yl)phenyl]-
CAS Number:
20513-61-5
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD00127221
IUPAC Name:
1-(2-imidazol-1-ylphenyl)ethanone
InChI:
InChI=1S/C11H10N2O/c1-9(14)10-4-2-3-5-11(10)13-7-6-12-8-13/h2-8H,1H3
InChI Key:
CUBZSVCEOTUDGR-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccccc1n1cncc1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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