Acetamide,2-cyano-2...

Acetamide,2-cyano-2-[2-(4-methoxyphenyl)diazenyl]-(CAS No. 5466-18-2)

Acetamide,2-cyano-2-[2-(4-methoxyphenyl)diazenyl]-(CAS No. 5466-18-2)

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Acetamide,2-cyano-2-[2-(4-methoxyphenyl)diazenyl]- 5466-18-2 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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Details:

【Name】
Acetamide,2-cyano-2-[2-(4-methoxyphenyl)diazenyl]-
【CAS Registry number】
5466-18-2
【Synonyms】
Acetamide,2-cyano-2-[(4-methoxyphenyl)azo]- (9CI)
NSC 25813
【Molecular Formula】
C10H10 N4 O2 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C10H10N4O2/c1-16-8-4-2-7(3-5-8)13-14-9(6-11)10(12)15/h2-5,9H,1H3,(H2,12,15)/b14-13+
【Canonical SMILES】
COC1=CC=C(C=C1)N=NC(C#N)C(=O)N
【MOL File】
5466-18-2.mol
Chemical and Physical Properties
【Density】
1.27g/cm3
【Boiling Point】
378°Cat760mmHg
【Refractive Index】
1.594
【Flash Point】
182.4°C
【Computed Properties】
Molecular Weight:218.212 [g/mol]
Molecular Formula:C10H10N4O2
XLogP3-AA:1
H-Bond Donor:1
H-Bond Acceptor:5
Rotatable Bond Count:4
Tautomer Count:5
Exact Mass:218.080376
MonoIsotopic Mass:218.080376
Topological Polar Surface Area:101
Heavy Atom Count:16
Formal Charge:0
Complexity:312
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:63

 

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