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77228-65-0 | Acetic acid,2-(2,4-diiodophenoxy)-
CAS No: 77228-65-0 Catalog No: AG005D59 MDL No:
Product Description
Catalog Number:
AG005D59
Chemical Name:
Acetic acid,2-(2,4-diiodophenoxy)-
CAS Number:
77228-65-0
Molecular Formula:
C8H6I2O3
Molecular Weight:
403.9404
IUPAC Name:
2-(2,4-diiodophenoxy)acetic acid
InChI:
InChI=1S/C8H6I2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChI Key:
NCMZZPMWCNKRJG-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1I)I
NSC Number:
402434
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.841g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
403.942g/mol
Monoisotopic Mass:
403.841g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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