azepan-2-ylmethyl 4...

azepan-2-ylmethyl 4-nitrobenzoate 5449-24-1

azepan-2-ylmethyl 4-nitrobenzoate 5449-24-1

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1 Gram

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

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azepan-2-ylmethyl 4-nitrobenzoate 5449-24-1 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:

【Name】
azepan-2-ylmethyl 4-nitrobenzoate
【CAS Registry number】
5449-24-1
【Synonyms】
azepan-2-ylmethyl 4-nitrobenzoate
NSC16290
AC1L5EJN
AC1Q1Z4F
AR-1H7635
NSC-16290
【Molecular Formula】
C14H18N2O4 (Products with the same molecular formula)
【Molecular Weight】
278.3037
【Inchi】
InChI=1/C14H18N2O4/c17-14(11-5-7-13(8-6-11)16(18)19)20-10-12-4-2-1-3-9-15-12/h5-8,12,15H,1-4,9-10H2
【Canonical SMILES】
C1CCC(NCC1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
【MOL File】
5449-24-1.mol
Chemical and Physical Properties
【Density】
1.182g/cm3
【Boiling Point】
434.1°C at 760 mmHg
【Refractive Index】
1.537
【Flash Point】
216.4°C
【Computed Properties】
Molecular Weight:278.30372 [g/mol]
Molecular Formula:C14H18N2O4
XLogP3-AA:2.4
H-Bond Donor:1
H-Bond Acceptor:5
Rotatable Bond Count:4
Exact Mass:278.126657
MonoIsotopic Mass:278.126657
Topological Polar Surface Area:84.2
Heavy Atom Count:20
Formal Charge:0
Complexity:335
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 Anion Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:6.4
Conformer Sampling RMSD:0.8
CID Conformer Count:94

 

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