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379229-83-1,MFCD06655990
Catalog No.:AA00CAFZ

379229-83-1 | 5-Chloro-1,3-benzodioxole-4-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$128.00   $90.00
- +
1g
95%
in stock  
$369.00   $259.00
- +
5g
95%
in stock  
$1,125.00   $788.00
- +
10g
95%
in stock  
$1,941.00   $1,359.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00CAFZ
Chemical Name:
5-Chloro-1,3-benzodioxole-4-carboxylic acid
CAS Number:
379229-83-1
Molecular Formula:
C8H5ClO4
Molecular Weight:
200.5759
MDL Number:
MFCD06655990
SMILES:
OC(=O)c1c(Cl)ccc2c1OCO2
Properties
Computed Properties
 
Complexity:
220  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.9  

Downstream Synthesis Route

[1]Plé,PatrickA.;Green,TimP.;Hennequin,LaurentF.;Curwen,Jon;Fennell,Michael;Allen,Jack;Lambert-VanDerBrempt,Christine;Costello,Gerard[JournalofMedicinalChemistry,2004,vol.47,#4,p.871-887]

[2]CurrentPatentAssignee:ASTRAZENECAPLC-WO2004/4732,2004,A1Locationinpatent:Page/Pagecolumn70

[3]CurrentPatentAssignee:ASTRAZENECAPLC-WO2004/5284,2004,A1Locationinpatent:Page70;93

[1]Plé,PatrickA.;Green,TimP.;Hennequin,LaurentF.;Curwen,Jon;Fennell,Michael;Allen,Jack;Lambert-VanDerBrempt,Christine;Costello,Gerard[JournalofMedicinalChemistry,2004,vol.47,#4,p.871-887]

[2]CurrentPatentAssignee:ASTRAZENECAPLC-WO2004/4732,2004,A1Locationinpatent:Page/Pagecolumn70-71

[3]CurrentPatentAssignee:ASTRAZENECAPLC-WO2004/5284,2004,A1Locationinpatent:Page70-71;94

Literature
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SDS
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Tags:379229-83-1 Molecular Formula|379229-83-1 MDL|379229-83-1 SMILES|379229-83-1 5-Chloro-1,3-benzodioxole-4-carboxylic acid