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34576-92-6,MFCD00228531
Catalog No.:AA003J76

34576-92-6 | 3-Chloro-6-fluoro-1-benzothiophene-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95
in stock  
$62.00   $43.00
- +
1g
95%
in stock  
$69.00   $48.00
- +
5g
95%
in stock  
$189.00   $133.00
- +
100g
96%
in stock  
$3,637.00   $2,546.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003J76
Chemical Name:
3-Chloro-6-fluoro-1-benzothiophene-2-carboxylic acid
CAS Number:
34576-92-6
Molecular Formula:
C9H4ClFO2S
Molecular Weight:
230.6433
MDL Number:
MFCD00228531
SMILES:
Fc1ccc2c(c1)sc(c2Cl)C(=O)O
Properties
Properties
 
Form:
Solid  
MP:
293-297 °C(lit.)  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
251  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
3.5  

Downstream Synthesis Route
34576-92-6   
4-{2-1-methyl-4-(1-methyl-4-(4-amino-2-pyrrolecarboxamido)-2-pyrrolecarboxamido)-2-pyrrolecarboxamidoethyl}morpholinedihydrochloride 
 
4-{2-1-methyl-4-(1-methyl-4-(1-methyl-4-(3-chloro-6-fluorobenzobthiophene-2-carboxamido)-2-pyrrolecarboxamido)-2-pyrrolecarboxamido)-2-pyrrolecarboxamidoethyl}morpholine 

[1]Kaizerman,JacobA.;Gross,MatthewI.;Ge,Yigong;White,Sarah;Hu,Wenhao;Duan,Jian-Xin;Baird,EldonE.;Johnson,KirkW.;Tanaka,RichardD.;Moser,HeinzE.;Bürli,RolandW.[JournalofMedicinalChemistry,2003,vol.46,#18,p.3914-3929]

34576-92-6    1186398-22-0   
C36H37ClFN3O4S 

[1]Locationinpatent:schemeortableBrunton,ShirleyA.;Stibbard,JohnH.A.;Rubin,LeeL.;Guicherit,OivinM.;Kruse,LawrenceI.;Price,Stephen;diLucrezia,Raffaella;MacKinnon,ColinH.;Avery,Alaric;Park,Yvonne;Buxton,Danielle;Boyd,EdwardA[BioorganicandMedicinalChemistryLetters,2009,vol.19,#15,p.4308-4311]

34576-92-6    16874-17-2   
C22H21ClFNO3S 

[1]Cheng,Kui;Wang,Xiaohui;Yin,Hang[JournaloftheAmericanChemicalSociety,2011,vol.133,#11,p.3764-3767]

34576-92-6   
D-phenylalaninetert-butylester 
 
C22H21ClFNO3S 

[1]Cheng,Kui;Wang,Xiaohui;Yin,Hang[JournaloftheAmericanChemicalSociety,2011,vol.133,#11,p.3764-3767]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:34576-92-6 Molecular Formula|34576-92-6 MDL|34576-92-6 SMILES|34576-92-6 3-Chloro-6-fluoro-1-benzothiophene-2-carboxylic acid |Halogenated_Heterocycles