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80336-72-7 | 2-Iodo-1-(4-methoxyphenyl)ethanone
CAS No: 80336-72-7 Catalog No: AG005MK1 MDL No:
Product Description
Catalog Number:
AG005MK1
Chemical Name:
2-Iodo-1-(4-methoxyphenyl)ethanone
CAS Number:
80336-72-7
Molecular Formula:
C9H9IO2
Molecular Weight:
276.0710
IUPAC Name:
2-iodo-1-(4-methoxyphenyl)ethanone
InChI:
InChI=1S/C9H9IO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H3
InChI Key:
WKOMPGVMEHWAQR-UHFFFAOYSA-N
SMILES:
ICC(=O)c1ccc(cc1)OC
Properties
Complexity:
151
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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