1H-Inden-1-ol,1-(4-...

1H-Inden-1-ol,1-(4-nitrobenzoate) 53820-86-3

1H-Inden-1-ol,1-(4-nitrobenzoate) 53820-86-3

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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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1H-Inden-1-ol,1-(4-nitrobenzoate) 53820-86-3 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】
1H-Inden-1-ol,1-(4-nitrobenzoate)
【Iupac name】
1H-inden-1-yl 4-nitrobenzoate
【CAS Registry number】
53820-86-3
【Synonyms】
1H-Inden-1-ol,4-nitrobenzoate (9CI)
NSC 245865
【Molecular Formula】
C16H11 N O4 (Products with the same molecular formula)
【Molecular Weight】
281.2628
【Inchi】
InChI=1/C16H11NO4/c18-16(12-5-8-13(9-6-12)17(19)20)21-15-10-7-11-3-1-2-4-14(11)15/h1-10,15H
【Canonical SMILES】
C1=CC=C2C(C=CC2=C1)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Chemical and Physical Properties
【Density】
1.36g/cm3
【Boiling Point】
477.1°Cat760mmHg
【Refractive Index】
1.658
【Flash Point】
216.1°C
【Computed Properties】
Molecular Weight:281.26284 [g/mol]
Molecular Formula:C16H11NO4
XLogP3-AA:3.7
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:3
Exact Mass:281.068808
MonoIsotopic Mass:281.068808
Topological Polar Surface Area:72.1
Heavy Atom Count:21
Formal Charge:0
Complexity:434
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 Anion Count:1
Feature 3D Ring Count:3
Effective Rotor Count:4.2
Conformer Sampling RMSD:0.6
CID Conformer Count:24

 

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