1912-44-3,MFCD09751729
Catalog No.:AA002F1F

1912-44-3 | 2-(6-Chloro-1h-indol-3-yl)acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$7.00   $5.00
- +
250mg
97%
in stock  
$10.00   $7.00
- +
1g
97%
in stock  
$24.00   $17.00
- +
5g
97%
in stock  
$108.00   $76.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002F1F
Chemical Name:
2-(6-Chloro-1h-indol-3-yl)acetic acid
CAS Number:
1912-44-3
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
MDL Number:
MFCD09751729
SMILES:
OC(=O)Cc1c[nH]c2c1ccc(c2)Cl
NSC Number:
295295
Properties
Computed Properties
 
Complexity:
234  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2  

Upstream Synthesis Route

[1]Patent:WO2007/29629,2007,A1,.Locationinpatent:Page/Pagecolumn65

[2]AngewandteChemie-InternationalEdition,2011,vol.50,#35,p.8105-8109

[1]JournaloftheAmericanChemicalSociety,1951,vol.73,p.2756,2758

[1]BioorganicandMedicinalChemistryLetters,2002,vol.12,#18,p.2523-2526

[2]AngewandteChemie-InternationalEdition,2011,vol.50,#35,p.8105-8109

Downstream Synthesis Route

[1]JournaloftheAmericanChemicalSociety,1951,vol.73,p.2756,2758

[1]BioorganicandMedicinalChemistryLetters,2002,vol.12,p.2523-2526

[2]Patent:EP1296676,2004,B1

[3]Patent:US6890948,2005,B1

1912-44-3   
6-chloroindole-3-carbinol 
  442883-75-2 

[1]ChemicalResearchinToxicology,2002,vol.15,p.877-882

[2]ChemicalResearchinToxicology,2002,vol.15,p.877-882

Literature

Title: Binding of ring-substituted indole-3-acetic acids to human serum albumin.

Journal: Bioorganic & medicinal chemistry 20070701

Title: Halogenated indole-3-acetic acids as oxidatively activated prodrugs with potential for targeted cancer therapy.

Journal: Bioorganic & medicinal chemistry letters 20020916

Quotation Request
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SDS
Tags:1912-44-3 Molecular Formula|1912-44-3 MDL|1912-44-3 SMILES|1912-44-3 2-(6-Chloro-1h-indol-3-yl)acetic acid
Catalog No.: AA002F1F
1912-44-3,MFCD09751729
1912-44-3 | 2-(6-Chloro-1h-indol-3-yl)acetic acid
Pack Size: 100mg
Purity: 97%
in stock
$7.00 $5.00
Pack Size: 250mg
Purity: 97%
in stock
$10.00 $7.00
Pack Size: 1g
Purity: 97%
in stock
$24.00 $17.00
Pack Size: 5g
Purity: 97%
in stock
$108.00 $76.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA002F1F
Chemical Name: 2-(6-Chloro-1h-indol-3-yl)acetic acid
CAS Number: 1912-44-3
Molecular Formula: C10H8ClNO2
Molecular Weight: 209.6290
MDL Number: MFCD09751729
SMILES: OC(=O)Cc1c[nH]c2c1ccc(c2)Cl
NSC Number: 295295
Properties
Complexity: 234  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2  
Upstream Synthesis Route
929005-85-6    1912-44-3 

[1]Patent:WO2007/29629,2007,A1,.Locationinpatent:Page/Pagecolumn65

[2]AngewandteChemie-InternationalEdition,2011,vol.50,#35,p.8105-8109

17422-33-2    107-14-2    1912-44-3 

[1]JournaloftheAmericanChemicalSociety,1951,vol.73,p.2756,2758

17422-33-2    1912-44-3 

[1]BioorganicandMedicinalChemistryLetters,2002,vol.12,#18,p.2523-2526

[2]AngewandteChemie-InternationalEdition,2011,vol.50,#35,p.8105-8109

Downstream Synthesis Route
17422-33-2    107-14-2    1912-44-3 

[1]JournaloftheAmericanChemicalSociety,1951,vol.73,p.2756,2758

1912-44-3    74-88-4    388574-11-6 

[1]BioorganicandMedicinalChemistryLetters,2002,vol.12,p.2523-2526

[2]Patent:EP1296676,2004,B1

[3]Patent:US6890948,2005,B1

1912-44-3   
6-chloroindole-3-carbinol 
  442883-75-2 

[1]ChemicalResearchinToxicology,2002,vol.15,p.877-882

[2]ChemicalResearchinToxicology,2002,vol.15,p.877-882

Literature fold

Title: Binding of ring-substituted indole-3-acetic acids to human serum albumin.

Journal: Bioorganic & medicinal chemistry20070701

Title: Halogenated indole-3-acetic acids as oxidatively activated prodrugs with potential for targeted cancer therapy.

Journal: Bioorganic & medicinal chemistry letters20020916

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