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249639-95-0 | Ethanone, 1-[4-(1H-imidazol-2-yl)phenyl]-
CAS No: 249639-95-0 Catalog No: AG002PZS MDL No:
Product Description
Catalog Number:
AG002PZS
Chemical Name:
Ethanone, 1-[4-(1H-imidazol-2-yl)phenyl]-
CAS Number:
249639-95-0
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
IUPAC Name:
1-[4-(1H-imidazol-2-yl)phenyl]ethanone
InChI:
InChI=1S/C11H10N2O/c1-8(14)9-2-4-10(5-3-9)11-12-6-7-13-11/h2-7H,1H3,(H,12,13)
InChI Key:
SMBRAWKXAIEJEJ-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)c1ncc[nH]1
Properties
Complexity:
209
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:
1
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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