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137715-94-7 | 1,3,5-Benzenetriol, 2-[2-(5-chloro-2-hydroxyphenyl)diazenyl]-
CAS No: 137715-94-7 Catalog No: AG0013RA MDL No:
Product Description
Catalog Number:
AG0013RA
Chemical Name:
1,3,5-Benzenetriol, 2-[2-(5-chloro-2-hydroxyphenyl)diazenyl]-
CAS Number:
137715-94-7
Molecular Formula:
C12H9ClN2O4
Molecular Weight:
280.6639
IUPAC Name:
2-[(5-chloro-2-hydroxyphenyl)diazenyl]benzene-1,3,5-triol
InChI:
InChI=1S/C12H9ClN2O4/c13-6-1-2-9(17)8(3-6)14-15-12-10(18)4-7(16)5-11(12)19/h1-5,16-19H
InChI Key:
SJPUFRRAAGGJSF-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)N=Nc1c(O)cc(cc1O)O)O
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.025g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
280.664g/mol
Monoisotopic Mass:
280.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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