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Home Carboxes 104795-85-9
104795-85-9,MFCD09027103
Catalog No.:AA008V99

104795-85-9 | Methyl 6-chlorobenzo[b]thiophene-2-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$115.00   $80.00
- +
1g
97%
in stock  
$215.00   $150.00
- +
5g
97%
in stock  
$722.00   $505.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA008V99
Chemical Name:
Methyl 6-chlorobenzo[b]thiophene-2-carboxylate
CAS Number:
104795-85-9
Molecular Formula:
C10H7ClO2S
Molecular Weight:
226.6794
MDL Number:
MFCD09027103
SMILES:
COC(=O)c1cc2c(s1)cc(cc2)Cl
Properties
Computed Properties
 
Complexity:
234  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
2  
XLogP3:
3.8  

Upstream Synthesis Route

[1]Patent:US2007/185113,2007,A1,.Locationinpatent:Page/Pagecolumn13

[2]Patent:WO2016/100184,2016,A1,.Locationinpatent:Paragraph00270

[3]JournalofMedicinalChemistry,2007,vol.50,#20,p.4793-4807

[1]Patent:US2007/185113,2007,A1,.Locationinpatent:Page/Pagecolumn13

[1]JournalofMedicinalChemistry,2007,vol.50,#20,p.4793-4807

[2]BioorganicandMedicinalChemistryLetters,2007,vol.17,#23,p.6463-6466

[3]Patent:WO2016/100184,2016,A1,.Locationinpatent:Paragraph00268

[1]OrganicLetters,2011,vol.13,#11,p.2868-2871

[1]CollectionofCzechoslovakChemicalCommunications,2003,vol.68,#5,p.1020-1038

Downstream Synthesis Route
21211-18-7    104795-85-9   
dimethyl6,6'-dichloro-3,3'-bi(1-benzothiophene)-2,2'-dicarboxylate 

[1]CollectionofCzechoslovakChemicalCommunications,2003,vol.68,p.1020-1038

[1]Patent:US2007/185113,2007,A1.Locationinpatent:Page/Pagecolumn13

[1]EuropeanJournalofMedicinalChemistry,2019,vol.174,p.236-251

[2]JournalofMedicinalChemistry,2007,vol.50,p.4793-4807

[3]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.6463-6466

[4]Patent:WO2016/100184,2016,A1.Locationinpatent:Paragraph00268

[1]Patent:US2007/185113,2007,A1.Locationinpatent:Page/Pagecolumn13

[2]EuropeanJournalofMedicinalChemistry,2019,vol.174,p.236-251

[3]Patent:WO2016/100184,2016,A1.Locationinpatent:Paragraph00270

[4]JournalofMedicinalChemistry,2007,vol.50,p.4793-4807

104795-85-9   
C9H6ClNO2S 

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.6463-6466

Literature
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SDS
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Tags:104795-85-9 Molecular Formula|104795-85-9 MDL|104795-85-9 SMILES|104795-85-9 Methyl 6-chlorobenzo[b]thiophene-2-carboxylate