1065076-45-0,MFCD11101442
Catalog No.:AA00925D

1065076-45-0 | 4-Ethyl-5-fluoro-2-methoxyphenol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
in stock  
$205.00   $144.00
- +
5g
in stock  
$632.00   $443.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00925D
Chemical Name:
4-Ethyl-5-fluoro-2-methoxyphenol
CAS Number:
1065076-45-0
Molecular Formula:
C9H11FO2
Molecular Weight:
170.1808
MDL Number:
MFCD11101442
SMILES:
CCc1cc(OC)c(cc1F)O
Properties
Computed Properties
 
Complexity:
141  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.4  

Downstream Synthesis Route

[1]Patent:WO2011/26529,2011,A1.Locationinpatent:Page/Pagecolumn15-16

[2]Patent:WO2011/48153,2011,A1.Locationinpatent:Page/Pagecolumn19

[3]JournalofMedicinalChemistry,2012,vol.55,p.9914-9928

[1]CurrentPatentAssignee:FABPHARMASAS-WO2011/26529,2011,A1Locationinpatent:Page/Pagecolumn14

[2]Gerusz,Vincent;Denis,Alexis;Faivre,Fabien;Bonvin,Yannick;Oxoby,Mayalen;Briet,Sophia;LeFralliec,Géraldine;Oliveira,Chrystelle;Desroy,Nicolas;Raymond,Cédric;Peltier,Laëtitia;Moreau,François;Escaich,Sonia;Vongsouthi,Vanida;Floquet,Stéphanie;Drocourt,Elodie;Walton,Armelle;Prouvensier,Laure;Saccomani,Marc;Durant,Lionel;Genevard,Jean-Marie;Sam-Sambo,Vanessa;Soulama-Mouze,Coralie[JournalofMedicinalChemistry,2012,vol.55,#22,p.9914-9928]

[1]Patent:WO2011/26529,2011,A1

[2]JournalofMedicinalChemistry,2012,vol.55,p.9914-9928

Literature
Quotation Request
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Additional Info:
SDS
Tags:1065076-45-0 Molecular Formula|1065076-45-0 MDL|1065076-45-0 SMILES|1065076-45-0 4-Ethyl-5-fluoro-2-methoxyphenol
Catalog No.: AA00925D
1065076-45-0,MFCD11101442
1065076-45-0 | 4-Ethyl-5-fluoro-2-methoxyphenol
Pack Size: 1g
Purity:
in stock
$205.00 $144.00
Pack Size: 5g
Purity:
in stock
$632.00 $443.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00925D
Chemical Name: 4-Ethyl-5-fluoro-2-methoxyphenol
CAS Number: 1065076-45-0
Molecular Formula: C9H11FO2
Molecular Weight: 170.1808
MDL Number: MFCD11101442
SMILES: CCc1cc(OC)c(cc1F)O
Properties
Complexity: 141  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.4  
Downstream Synthesis Route
64248-62-0    1065076-45-0    1269055-90-4 

[1]Patent:WO2011/26529,2011,A1.Locationinpatent:Page/Pagecolumn15-16

[2]Patent:WO2011/48153,2011,A1.Locationinpatent:Page/Pagecolumn19

[3]JournalofMedicinalChemistry,2012,vol.55,p.9914-9928

1065076-49-4    1065076-45-0 

[1]CurrentPatentAssignee:FABPHARMASAS-WO2011/26529,2011,A1Locationinpatent:Page/Pagecolumn14

[2]Gerusz,Vincent;Denis,Alexis;Faivre,Fabien;Bonvin,Yannick;Oxoby,Mayalen;Briet,Sophia;LeFralliec,Géraldine;Oliveira,Chrystelle;Desroy,Nicolas;Raymond,Cédric;Peltier,Laëtitia;Moreau,François;Escaich,Sonia;Vongsouthi,Vanida;Floquet,Stéphanie;Drocourt,Elodie;Walton,Armelle;Prouvensier,Laure;Saccomani,Marc;Durant,Lionel;Genevard,Jean-Marie;Sam-Sambo,Vanessa;Soulama-Mouze,Coralie[JournalofMedicinalChemistry,2012,vol.55,#22,p.9914-9928]

72955-97-6    1065076-45-0 

[1]Patent:WO2011/26529,2011,A1

[2]JournalofMedicinalChemistry,2012,vol.55,p.9914-9928

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