Benzamide,N,N-dieth...

Benzamide,N,N-diethyl-5-nitro-2-(phenylmethoxy)- 53572-74-0

Benzamide,N,N-diethyl-5-nitro-2-(phenylmethoxy)- 53572-74-0

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Benzamide,N,N-diethyl-5-nitro-2-(phenylmethoxy)- 53572-74-0 C18H20 N2 O4

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:1|Metric Ton|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
Benzamide,N,N-diethyl-5-nitro-2-(phenylmethoxy)-
【Iupac name】
N,N-diethyl-5-nitro-2-phenylmethoxybenzamide
【CAS Registry number】
53572-74-0
【Synonyms】
2-Benzyloxy-N,N-diethyl-5-nitrobenzamide
NSC 177501
【Molecular Formula】
C18H20 N2 O4 (Products with the same molecular formula)
【Molecular Weight】
328.3624
【Inchi】
InChI=1/C18H20N2O4/c1-3-19(4-2)18(21)16-12-15(20(22)23)10-11-17(16)24-13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3
【Canonical SMILES】
CCN(CC)C(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OCC2=CC=CC=C2
Chemical and Physical Properties
【Density】
1.197g/cm3
【Boiling Point】
523.6°Cat760mmHg
【Refractive Index】
1.582
【Flash Point】
270.5°C
【Computed Properties】
Molecular Weight:328.3624 [g/mol]
Molecular Formula:C18H20N2O4
XLogP3-AA:3.4
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:6
Exact Mass:328.142307
MonoIsotopic Mass:328.142307
Topological Polar Surface Area:75.4
Heavy Atom Count:24
Formal Charge:0
Complexity:414
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 Anion Count:1
Feature 3D Ring Count:2
Effective Rotor Count:8
Conformer Sampling RMSD:0.8
CID Conformer Count:87

 

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