N-(3-nitrobiphenyl-...

N-(3-nitrobiphenyl-4-yl)acetamide 5393-46-4

N-(3-nitrobiphenyl-4-yl)acetamide 5393-46-4

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
  • Payment Terms : L/C,T/T,

Keywords

Acetamide, N-(3-nitro(1,1-biphenyl)-4-yl)- 5393-46-4 98%

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】
N-(3-nitrobiphenyl-4-yl)acetamide
【CAS Registry number】
5393-46-4
【Synonyms】
N-(3-nitrobiphenyl-4-yl)acetamide
N-(3-Nitro(1,1'-biphenyl)-4-yl)acetamide
【EINECS(EC#)】
226-399-3
【Molecular Formula】
C14H12N2O3 (Products with the same molecular formula)
【Molecular Weight】
256.25668
【Inchi】
InChI=1/C14H12N2O3/c1-10(17)15-13-8-7-12(9-14(13)16(18)19)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,17)
【Canonical SMILES】
CC(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2)[N+](=O)[O-]
【MOL File】
5393-46-4.mol
Chemical and Physical Properties
【Density】
1.283g/cm3
【Boiling Point】
478.3°C at 760 mmHg
【Refractive Index】
1.637
【Flash Point】
243.1°C
【Computed Properties】
Molecular Weight:256.25668 [g/mol]
Molecular Formula:C14H12N2O3
XLogP3:2.8
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:2
Tautomer Count:3
Exact Mass:256.084792
MonoIsotopic Mass:256.084792
Topological Polar Surface Area:74.9
Heavy Atom Count:19
Formal Charge:0
Complexity:334
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:3
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Ring Count:2
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:4

 

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