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18698-96-9 | 2-Iodophenylacetic Acid
CAS No: 18698-96-9 Catalog No: AG0033D7 MDL No:MFCD00046546
Product Description
Catalog Number:
AG0033D7
Chemical Name:
2-Iodophenylacetic Acid
CAS Number:
18698-96-9
Molecular Formula:
C8H7IO2
Molecular Weight:
262.0445
MDL Number:
MFCD00046546
IUPAC Name:
2-(2-iodophenyl)acetic acid
InChI:
InChI=1S/C8H7IO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChI Key:
IUHXGZHKSYYDIL-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccccc1I
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.949g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.046g/mol
Monoisotopic Mass:
261.949g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Design and Synthesis of Imidazopyrimidine Derivatives as Potent iNOS Dimerization Inhibitors. | The open medicinal chemistry journal 20090101 |
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