2,2'-sulfonylbis(4-...

2,2'-sulfonylbis(4-bromophenol) 5336-23-2

2,2'-sulfonylbis(4-bromophenol) 5336-23-2

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1 Gram

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Keywords

4-bromo-2-(5-bromo-2-hydroxy-phenyl)sulfonyl-phenol 2,2'-sulfonylbis(4-bromophenol) 5336-23-2

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
2,2'-sulfonylbis(4-bromophenol)
【CAS Registry number】
5336-23-2
【Synonyms】
2,2'
-sulfonylbis(4-bromophenol)
2,2'
-SULFONYLBIS[4-BROMOPHENOL]
NSC1050
AC1Q25ON
AC1L572L
NSC-1050
AR-1D1850
4-bromo-2-(5-bromo-2-hydroxyphenyl)sulfonylphenol
【Molecular Formula】
C12H8Br2O4S (Products with the same molecular formula)
【Molecular Weight】
408.0625
【Inchi】
InChI=1/C12H8Br2O4S/c13-7-1-3-9(15)11(5-7)19(17,18)12-6-8(14)2-4-10(12)16/h1-6,15-16H
【Canonical SMILES】
C1=CC(=C(C=C1Br)S(=O)(=O)C2=C(C=CC(=C2)Br)O)O
【MOL File】
5336-23-2.mol
Chemical and Physical Properties
【Density】
1.971g/cm3
【Boiling Point】
549.2°C at 760 mmHg
【Refractive Index】
1.686
【Flash Point】
285.9°C
【Computed Properties】
Molecular Weight:408.06252 [g/mol]
Molecular Formula:C12H8Br2O4S
XLogP3-AA:4.5
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:2
Tautomer Count:5
Exact Mass:407.848958
MonoIsotopic Mass:405.851005
Topological Polar Surface Area:83
Heavy Atom Count:19
Formal Charge:0
Complexity:376
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:2
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:2
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:7

 

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