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89011-16-5 | Benzoic acid, 2-hydroxy-3,4,5-triiodo-, hydrazide
CAS No: 89011-16-5 Catalog No: AG0044MQ MDL No:
Product Description
Catalog Number:
AG0044MQ
Chemical Name:
Benzoic acid, 2-hydroxy-3,4,5-triiodo-, hydrazide
CAS Number:
89011-16-5
Molecular Formula:
C7H5I3N2O2
Molecular Weight:
529.8402
IUPAC Name:
2-hydroxy-3,4,5-triiodobenzohydrazide
InChI:
InChI=1S/C7H5I3N2O2/c8-3-1-2(7(14)12-11)6(13)5(10)4(3)9/h1,13H,11H2,(H,12,14)
InChI Key:
KBLBLFZSYOELJA-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cc(I)c(c(c1O)I)I
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
529.749g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
529.842g/mol
Monoisotopic Mass:
529.749g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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