2-chloro-N-(2,2,3-t...

2-chloro-N-(2,2,3-trichloro-1-hydroxy-butyl)acetamide 5345-59-5

2-chloro-N-(2,2,3-trichloro-1-hydroxy-butyl)acetamide 5345-59-5

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Keywords

2-chloro-N-(2,2,3-trichloro-1-hydroxy-butyl)acetamide 5345-59-5 C6H9Cl4NO2

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-chloro-N-(2,2,3-trichloro-1-hydroxybutyl)acetamide
【CAS Registry number】
5345-59-5
【Synonyms】
2-CHLORO-N-(2,2,3-TRICHLORO-1-HYDROXYBUTYL)ACETAMIDE
5345-59-5
NSC1711
AC1Q3THU
AC1L57R3
NSC-1711
AR-1E0548
2-CHLORO-N-(2,3-TRICHLORO-1-HYDROXYBUTYL)ACETAMIDE
594-22-9
【Molecular Formula】
C6H9Cl4NO2 (Products with the same molecular formula)
【Molecular Weight】
268.9532
【Inchi】
InChI=1/C6H9Cl4NO2/c1-3(8)6(9,10)5(13)11-4(12)2-7/h3,5,13H,2H2,1H3,(H,11,12)
【Canonical SMILES】
CC(C(C(NC(=O)CCl)O)(Cl)Cl)Cl
【MOL File】
5345-59-5.mol
Chemical and Physical Properties
【Density】
1.516g/cm3
【Boiling Point】
421.2°C at 760 mmHg
【Refractive Index】
1.524
【Flash Point】
208.6°C
【Computed Properties】
Molecular Weight:268.95316 [g/mol]
Molecular Formula:C6H9Cl4NO2
XLogP3-AA:1.8
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:4
Tautomer Count:2
Exact Mass:268.935789
MonoIsotopic Mass:266.938739
Topological Polar Surface Area:49.3
Heavy Atom Count:13
Formal Charge:0
Complexity:188
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
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
Effective Rotor Count:5
Conformer Sampling RMSD:0.6
CID Conformer Count:109

 

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