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80527-63-5 | 1,2,3-Benzenetriol, 4-[(4-iodophenyl)azo]-
CAS No: 80527-63-5 Catalog No: AG0059HG MDL No:
Product Description
Catalog Number:
AG0059HG
Chemical Name:
1,2,3-Benzenetriol, 4-[(4-iodophenyl)azo]-
CAS Number:
80527-63-5
Molecular Formula:
C12H9IN2O3
Molecular Weight:
356.1159
IUPAC Name:
4-[(4-iodophenyl)diazenyl]benzene-1,2,3-triol
InChI:
InChI=1S/C12H9IN2O3/c13-7-1-3-8(4-2-7)14-15-9-5-6-10(16)12(18)11(9)17/h1-6,16-18H
InChI Key:
CUBGRKXRRWAHRY-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)N=Nc1ccc(c(c1O)O)O
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.966g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
356.119g/mol
Monoisotopic Mass:
355.966g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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