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554-24-5 | phenobutiodil
CAS No: 554-24-5 Catalog No: AG00DHS7 MDL No:
Product Description
Catalog Number:
AG00DHS7
Chemical Name:
phenobutiodil
CAS Number:
554-24-5
IUPAC Name:
2-(2,4,6-triiodophenoxy)butanoic acid
InChI:
InChI=1S/C10H9I3O3/c1-2-8(10(14)15)16-9-6(12)3-5(11)4-7(9)13/h3-4,8H,2H2,1H3,(H,14,15)
InChI Key:
VYAGDYWTCWDKIS-UHFFFAOYSA-N
EC Number:
209-065-1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
557.769g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
557.892g/mol
Monoisotopic Mass:
557.769g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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