2-Propanol,1-[4-(1-...

2-Propanol,1-[4-(1-methylpropyl)phenoxy]-, 2-acetate 5436-95-3

2-Propanol,1-[4-(1-methylpropyl)phenoxy]-, 2-acetate 5436-95-3

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  • Min.Order :1 Kilogram
  • Purity: 99%
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2-Propanol,1-[4-(1-methylpropyl)phenoxy]-, 2-acetate 5436-95-3 98%

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:

2-Propanol,1-[4-(1-methylpropyl)phenoxy]-, 2-acetate
【CAS Registry number】
5436-95-3
【Synonyms】
2-Propanol,1-[4-(1-methylpropyl)phenoxy]-, acetate (9CI)
NSC 21797
【Molecular Formula】
C15H22 O3 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C15H22O3/c1-5-11(2)14-6-8-15(9-7-14)17-10-12(3)18-13(4)16/h6-9,11-12H,5,10H2,1-4H3
【Canonical SMILES】
CN(C)C(=O)CC(CC(=O)N(C)C)(C#N)C1=NC(=CS1)C2=C(C=CC(=C2)F)F
【MOL File】
5436-95-3.mol
Chemical and Physical Properties
【Density】
1.001g/cm3
【Boiling Point】
322.4°Cat760mmHg
【Refractive Index】
1.488
【Flash Point】
132.5°C
【Computed Properties】
Molecular Weight:406.449506 [g/mol]
Molecular Formula:C19H20F2N4O2S
XLogP3-AA:1.2
H-Bond Donor:0
H-Bond Acceptor:6
Rotatable Bond Count:6
Exact Mass:406.127503
MonoIsotopic Mass:406.127503
Topological Polar Surface Area:106
Heavy Atom Count:28
Formal Charge:0
Complexity:615
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 Ring Count:2
Effective Rotor Count:8
Conformer Sampling RMSD:1
CID Conformer Count:312

 

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