N-(4,6-dichloro-5-n...

N-(4,6-dichloro-5-nitro-pyrimidin-2-yl)acetamide(CAS No. 56145-04-1)

N-(4,6-dichloro-5-nitro-pyrimidin-2-yl)acetamide(CAS No. 56145-04-1)

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N-(4,6-dichloro-5-nitro-pyrimidin-2-yl)acetamide N-(4,6-dichloro-5-nitro-pyrimidin-2-yl)acetamide(CAS No. 56145-04-1) 56145-04-1

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  • Appearance:Solid
  • Application:Organic Chemicals
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Details:

【Name】
N-(4,6-dichloro-5-nitro-pyrimidin-2-yl)acetamide
【CAS Registry number】
56145-04-1
【Synonyms】
56145-04-1
NSC176970
AC1L6XK6
AKOS000282936
NSC-176970
N-(4,6-dichloro-5-nitropyrimidin-2-yl)acetamide
N-(4,6-DICHLORO-5-NITRO-PYRIMIDIN-2-YL)ACETAMIDE
5180-50-7
【Molecular Formula】
C6H4Cl2N4O3 (Products with the same molecular formula)
【Molecular Weight】
251.02696
【Inchi】
InChI=1S/C6H4Cl2N4O3/c1-2(13)9-6-10-4(7)3(12(14)15)5(8)11-6/h1H3,(H,9,10,11,13)
【InChIKey】
JTLCZWOWLVTEOB-UHFFFAOYSA-N
【Canonical SMILES】
CC(=O)NC1=NC(=C(C(=N1)Cl)[N+](=O)[O-])Cl
Chemical and Physical Properties
【Density】
1.734g/cm3
【Boiling Point】
°Cat760mmHg
【Flash Point】
°C
【Computed Properties】
Molecular Weight:251.02696 [g/mol]
Molecular Formula:C6H4Cl2N4O3
XLogP3-AA:1.5
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:1
Tautomer Count:5
Exact Mass:249.966045
MonoIsotopic Mass:249.966045
Topological Polar Surface Area:101
Heavy Atom Count:15
Formal Charge:0
Complexity:260
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:4
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Ring Count:1
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:4

 

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