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4618-45-5 | 4-(4'-HYDROXY-3'-IODOPHENOXY)-3,5-DIIODO-BENZOIC ACID
CAS No: 4618-45-5 Catalog No: AG00DDXD MDL No:MFCD00127958
Product Description
Catalog Number:
AG00DDXD
Chemical Name:
4-(4'-HYDROXY-3'-IODOPHENOXY)-3,5-DIIODO-BENZOIC ACID
CAS Number:
4618-45-5
Molecular Formula:
C13H7I3O4
Molecular Weight:
607.9057
MDL Number:
MFCD00127958
IUPAC Name:
4-(4-hydroxy-3-iodophenoxy)-3,5-diiodobenzoic acid
InChI:
InChI=1S/C13H7I3O4/c14-8-5-7(1-2-11(8)17)20-12-9(15)3-6(13(18)19)4-10(12)16/h1-5,17H,(H,18,19)
InChI Key:
UFFBAPYAPOWTEI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
607.748g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
607.908g/mol
Monoisotopic Mass:
607.748g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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