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101513-77-3,MFCD00153101
Catalog No.:AA0004MD

101513-77-3 | 3-Chloro-2,4,5-trifluorobenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$26.00   $18.00
- +
5g
97%
in stock  
$77.00   $54.00
- +
10g
97%
in stock  
$127.00   $89.00
- +
25g
97%
in stock  
$294.00   $206.00
- +
100g
95%
in stock  
$1,142.00   $799.00
- +
  • 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:
AA0004MD
Chemical Name:
3-Chloro-2,4,5-trifluorobenzoic acid
CAS Number:
101513-77-3
Molecular Formula:
C7H2ClF3O2
Molecular Weight:
210.5378
MDL Number:
MFCD00153101
SMILES:
OC(=O)c1cc(F)c(c(c1F)Cl)F
Properties
Computed Properties
 
Complexity:
214  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.4  

Upstream Synthesis Route

[1]Patent:US4885386,1989,A,

[2]Patent:US4885386,1989,A,

[1]Patent:US5286723,1994,A,

[1]Patent:US5072038,1991,A,

[1]Patent:US4771054,1988,A,

[1]BioorganicandMedicinalChemistryLetters,2016,vol.26,#9,p.2262-2267

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1991,vol.34,p.1142-1154

[2]Patent:US5464796,1995,A

[3]Patent:US4977154,1990,A

[4]Patent:EP226961,1991,B1

[5]Patent:US2019/276407,2019,A1.Locationinpatent:Paragraph0742-0745

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.1312-1320

[1]Patent:CN108084161,2018,A.Locationinpatent:Paragraph0018;0041-0043

[2]Arzneimittel-Forschung/DrugResearch,2007,vol.57,p.641-646

[3]BioorganicandMedicinalChemistryLetters,2016,vol.26,p.2262-2267

[4]Patent:CN109293513,2019,A.Locationinpatent:Paragraph0037;0040;0041;0044

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.1312-1320

101513-77-3   
4-3-(<i>tert</i>-butoxycarbonyl-methyl-amino)-pyrrolidin-1-yl-3-chloro-2,5-difluoro-benzoicacidethylester 

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.1312-1320

Literature
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SDS
Tags:101513-77-3 Molecular Formula|101513-77-3 MDL|101513-77-3 SMILES|101513-77-3 3-Chloro-2,4,5-trifluorobenzoic acid |Fluorinated_Building_Blocks