Acetic acid, 2-iodo...

Acetic acid, 2-iodo-,1,1'-(1,2-ethanediyl) ester 5451-51-4

Acetic acid, 2-iodo-,1,1'-(1,2-ethanediyl) ester 5451-51-4

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Keywords

Acetic acid, 2-iodo-,1,1'-(1,2-ethanediyl) ester 5451-51-4 2-(2-iodoacetyl)oxyethyl 2-iodoacetate

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:

【Name】
Acetic acid, 2-iodo-,1,1'-(1,2-ethanediyl) ester
【Iupac name】
2-(2-iodoacetyl)oxyethyl 2-iodoacetate
【CAS Registry number】
5451-51-4
【Synonyms】
Aceticacid, iodo-, 1,2-ethanediyl ester (9CI)
Acetic acid, iodo-, ethylene ester(7CI,8CI)
Ethylene glycol bis(iodoacetate)
NSC 21820
NSC 59487
【Molecular Formula】
C6H8 I2 O4 (Products with the same molecular formula)
【Molecular Weight】
397.94
【Inchi】
InChI=1/C6H8I2O4/c7-3-5(9)11-1-2-12-6(10)4-8/h1-4H2
【Canonical SMILES】
C(COC(=O)CI)OC(=O)CI
【MOL File】
5451-51-4.mol
Chemical and Physical Properties
【Density】
2.31g/cm3
【Boiling Point】
374.3°C at 760 mmHg
【Refractive Index】
1.605
【Flash Point】
180.2°C
【Computed Properties】
Molecular Weight:397.93426 [g/mol]
Molecular Formula:C6H8I2O4
XLogP3-AA:1.4
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:7
Exact Mass:397.851195
MonoIsotopic Mass:397.851195
Topological Polar Surface Area:52.6
Heavy Atom Count:12
Formal Charge:0
Complexity:142
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 Hydrophobe Count:2
Effective Rotor Count:7
Conformer Sampling RMSD:0.8
CID Conformer Count:93

 

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