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86166-39-4 | N-BENZOYL-3,5-DIIODOANTHRANILIC ACID
CAS No: 86166-39-4 Catalog No: AG004TJD MDL No:
Product Description
Catalog Number:
AG004TJD
Chemical Name:
N-BENZOYL-3,5-DIIODOANTHRANILIC ACID
CAS Number:
86166-39-4
Molecular Formula:
C14H9I2NO3
Molecular Weight:
493.0351
IUPAC Name:
2-benzamido-3,5-diiodobenzoic acid
InChI:
InChI=1S/C14H9I2NO3/c15-9-6-10(14(19)20)12(11(16)7-9)17-13(18)8-4-2-1-3-5-8/h1-7H,(H,17,18)(H,19,20)
InChI Key:
ZBYHDRJUYBZIBL-UHFFFAOYSA-N
SMILES:
Ic1cc(I)c(c(c1)C(=O)O)NC(=O)c1ccccc1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.867g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
493.039g/mol
Monoisotopic Mass:
492.867g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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