6-(4-chlorophenoxy)...

6-(4-chlorophenoxy)-7-methyl-7H-purine 5444-56-4

6-(4-chlorophenoxy)-7-methyl-7H-purine 5444-56-4

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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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6-(4-chlorophenoxy)-7-methyl-purine 5444-56-4 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:10|Kilogram|Month
  • Storage:Room Temperature
  • Transportation:By sea or by air

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Details:

【Name】
6-(4-chlorophenoxy)-7-methyl-7H-purine
【CAS Registry number】
5444-56-4
【Synonyms】
6-(4-chlorophenoxy)-7-methyl-7h-purine
NSC19122
AC1L5FJP
AC1Q3SKE
6-(4-chlorophenoxy)-7-methylpurine
AR-1G9805
NSC-19122
【Molecular Formula】
C12H9ClN4O (Products with the same molecular formula)
【Molecular Weight】
260.6791
【Inchi】
InChI=1/C12H9ClN4O/c1-17-7-16-11-10(17)12(15-6-14-11)18-9-4-2-8(13)3-5-9/h2-7H,1H3
【Canonical SMILES】
CN1C=NC2=C1C(=NC=N2)OC3=CC=C(C=C3)Cl
【MOL File】
5444-56-4.mol
Chemical and Physical Properties
【Density】
1.44g/cm3
【Boiling Point】
429.6°C at 760 mmHg
【Refractive Index】
1.693
【Flash Point】
213.6°C
【Computed Properties】
Molecular Weight:260.67906 [g/mol]
Molecular Formula:C12H9ClN4O
XLogP3-AA:2.5
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:2
Exact Mass:260.046489
MonoIsotopic Mass:260.046489
Topological Polar Surface Area:52.8
Heavy Atom Count:18
Formal Charge:0
Complexity:285
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 Cation Count:2
Feature 3D Ring Count:3
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:8

 

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