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25700-00-9 | 1-(3-(1H-imidazol-1-yl)phenyl)ethanone
CAS No: 25700-00-9 Catalog No: AG01BIO3 MDL No:MFCD19301695
Product Description
Catalog Number:
AG01BIO3
Chemical Name:
1-(3-(1H-imidazol-1-yl)phenyl)ethanone
CAS Number:
25700-00-9
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD19301695
IUPAC Name:
1-(3-imidazol-1-ylphenyl)ethanone
InChI:
InChI=1S/C11H10N2O/c1-9(14)10-3-2-4-11(7-10)13-6-5-12-8-13/h2-8H,1H3
InChI Key:
KGYWVEACRHBHPR-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc(c1)n1cncc1
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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