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89011-13-2 | Benzamide, N,2-dihydroxy-3,4,5-triiodo-
CAS No: 89011-13-2 Catalog No: AG0044MR MDL No:
Product Description
Catalog Number:
AG0044MR
Chemical Name:
Benzamide, N,2-dihydroxy-3,4,5-triiodo-
CAS Number:
89011-13-2
Molecular Formula:
C7H4I3NO3
Molecular Weight:
530.8250
IUPAC Name:
N,2-dihydroxy-3,4,5-triiodobenzamide
InChI:
InChI=1S/C7H4I3NO3/c8-3-1-2(7(13)11-14)6(12)5(10)4(3)9/h1,12,14H,(H,11,13)
InChI Key:
PCFAXBKSAAIKCQ-UHFFFAOYSA-N
SMILES:
ONC(=O)c1cc(I)c(c(c1O)I)I
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
530.733g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
530.826g/mol
Monoisotopic Mass:
530.733g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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