2-[(4-chlorophenoxy...

2-[(4-chlorophenoxy)methyl]-3-(methoxymethyl)-1-methyl-indole 54109-62-5

2-[(4-chlorophenoxy)methyl]-3-(methoxymethyl)-1-methyl-indole 54109-62-5

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1 Kilogram

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  • Min.Order :1 Kilogram
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2-[(4-chlorophenoxy)methyl]-3-(methoxymethyl)-1-methyl-indole 54109-62-5 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

【Name】
2-[(4-chlorophenoxy)methyl]-3-(methoxymethyl)-1-methyl-1H-indole
【Iupac name】
2-[(4-chlorophenoxy)methyl]-3-(methoxymethyl)-1-methylindole
【CAS Registry number】
54109-62-5
【Synonyms】
NSC186318
AC1L70DM
NSC-186318
2-[(4-chlorophenoxy)methyl]-3-(methoxymethyl)-1-methylindole
54109-62-5
【Molecular Formula】
C18H18ClNO2 (Products with the same molecular formula)
【Molecular Weight】
315.794
【Inchi】
InChI=1/C18H18ClNO2/c1-20-17-6-4-3-5-15(17)16(11-21-2)18(20)12-22-14-9-7-13(19)8-10-14/h3-10H,11-12H2,1-2H3
【Canonical SMILES】
CN1C2=CC=CC=C2C(=C1COC3=CC=C(C=C3)Cl)COC
Chemical and Physical Properties
【Density】
1.17g/cm3
【Boiling Point】
456.5°C at 760 mmHg
【Refractive Index】
1.576
【Flash Point】
229.9°C
【Computed Properties】
Molecular Weight:315.79402 [g/mol]
Molecular Formula:C18H18ClNO2
XLogP3-AA:3.8
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:5
Exact Mass:315.102607
MonoIsotopic Mass:315.102607
Topological Polar Surface Area:23.4
Heavy Atom Count:22
Formal Charge:0
Complexity:346
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:2
Feature 3D Cation Count:1
Feature 3D Ring Count:3
Effective Rotor Count:5
Conformer Sampling RMSD:0.8
CID Conformer Count:39

 

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