4-nitro-2-(4-nitrop...

4-nitro-2-(4-nitrophenyl)isoindole-1,3-dione 53555-13-8

4-nitro-2-(4-nitrophenyl)isoindole-1,3-dione 53555-13-8

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Keywords

4-nitro-2-(4-nitrophenyl)isoindole-1,3-dione 53555-13-8 C14H7N3O6

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  • Appearance:Solid
  • Application:Organic Chemicals
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  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
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Details:

Identification and Related Records
【Name】
4-nitro-2-(4-nitrophenyl)-1H-isoindole-1,3(2H)-dione
【Iupac name】
4-nitro-2-(4-nitrophenyl)isoindole-1,3-dione
【CAS Registry number】
53555-13-8
【Synonyms】
1H-isoindole-1,3(2H)-dione, 4-nitro-2-(4-nitrophenyl)-
4-Nitro-2-(4-nitro-phenyl)-isoindole-1,3-dione
【Molecular Formula】
C14H7N3O6 (Products with the same molecular formula)
【Molecular Weight】
313.2219
【Inchi】
InChI=1/C14H7N3O6/c18-13-10-2-1-3-11(17(22)23)12(10)14(19)15(13)8-4-6-9(7-5-8)16(20)21/h1-7H
【Canonical SMILES】
C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-]
【MOL File】
53555-13-8.mol
Chemical and Physical Properties
【Density】
1.644g/cm3
【Boiling Point】
584.3°C at 760 mmHg
【Refractive Index】
1.719
【Flash Point】
307.2°C
【Computed Properties】
Molecular Weight:313.22188 [g/mol]
Molecular Formula:C14H7N3O6
XLogP3-AA:2.1
H-Bond Donor:0
H-Bond Acceptor:6
Rotatable Bond Count:1
Exact Mass:313.033485
MonoIsotopic Mass:313.033485
Topological Polar Surface Area:129
Heavy Atom Count:23
Formal Charge:0
Complexity:546
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:6
Feature 3D Anion Count:2
Feature 3D Ring Count:3
Effective Rotor Count:3.2
Conformer Sampling RMSD:0.6
CID Conformer Count:1

 

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