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144046-80-0 | 1,4-Benzenediol, 2,3,5,6-tetrachloro-, sulfate (9CI)
CAS No: 144046-80-0 Catalog No: AG001IUM MDL No:
Product Description
Catalog Number:
AG001IUM
Chemical Name:
1,4-Benzenediol, 2,3,5,6-tetrachloro-, sulfate (9CI)
CAS Number:
144046-80-0
Molecular Formula:
C6H2Cl4O5S
Molecular Weight:
327.9541
IUPAC Name:
sulfuric acid;2,3,5,6-tetrachlorobenzene-1,4-diol
InChI:
InChI=1S/C6H2Cl4O2.H2O4S/c7-1-2(8)6(12)4(10)3(9)5(1)11;1-5(2,3)4/h11-12H;(H2,1,2,3,4)
InChI Key:
ZFTCUZPCDDNTJB-UHFFFAOYSA-N
SMILES:
Clc1c(OS(=O)(=O)O)c(Cl)c(c(c1Cl)O)Cl
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.845g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
345.952g/mol
Monoisotopic Mass:
343.848g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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