N-(2,3-dichlorophen...

N-(2,3-dichlorophenyl)-N-methyl-oxamide 5376-28-3

N-(2,3-dichlorophenyl)-N-methyl-oxamide 5376-28-3

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N-(2,3-dichlorophenyl)-N-methyl-oxamide 5376-28-3 C13H13FN2OS

Quick Details

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

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Details:

Identification and Related Records
【Name】
3-ethoxy-6-[(2-fluorobenzyl)sulfanyl]pyridazine
【CAS Registry number】
5376-28-3
【Synonyms】
N-(2,3-dichlorophenyl)-N'
-methylethanediamide
ZINC02280275
AC1LYOQ0
STOCK3S-10878
MolPort-000-803-013
STK018330
AKOS000342645
N'
-(2,3-dichlorophenyl)-N-methyloxamide
【Molecular Formula】
C13H13FN2OS (Products with the same molecular formula)
【Molecular Weight】
264.3185
【Inchi】
InChI=1/C13H13FN2OS/c1-2-17-12-7-8-13(16-15-12)18-9-10-5-3-4-6-11(10)14/h3-8H,2,9H2,1H3
【Canonical SMILES】
CNC(=O)C(=O)NC1=C(C(=CC=C1)Cl)Cl
【MOL File】
5376-28-3.mol
Chemical and Physical Properties
【Density】
1.25g/cm3
【Boiling Point】
439.5°C at 760 mmHg
【Refractive Index】
1.589
【Flash Point】
219.6°C
【Computed Properties】
Molecular Weight:247.07802 [g/mol]
Molecular Formula:C9H8Cl2N2O2
XLogP3:1.8
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:1
Tautomer Count:4
Exact Mass:245.996283
MonoIsotopic Mass:245.996283
Topological Polar Surface Area:58.2
Heavy Atom Count:15
Formal Charge:0
Complexity:261
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 Ring Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:12

 

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