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110718-87-1 | Ethanone, 1-(2-iodo-5-methoxyphenyl)-
CAS No: 110718-87-1 Catalog No: AG007U6O MDL No:
Product Description
Catalog Number:
AG007U6O
Chemical Name:
Ethanone, 1-(2-iodo-5-methoxyphenyl)-
CAS Number:
110718-87-1
Molecular Formula:
C9H9IO2
Molecular Weight:
276.0710
IUPAC Name:
1-(2-iodo-5-methoxyphenyl)ethanone
InChI:
InChI=1S/C9H9IO2/c1-6(11)8-5-7(12-2)3-4-9(8)10/h3-5H,1-2H3
InChI Key:
GZVPTJZTIXQBFW-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(=O)C)I
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.965g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.073g/mol
Monoisotopic Mass:
275.965g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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