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1125828-30-9,MFCD17215853
Catalog No.:AA0099CH

1125828-30-9 | 1-(4-Chloro-2-(3-methyl-1h-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethanone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$23.00   $16.00
- +
10g
97%
in stock  
$187.00   $131.00
- +
25g
97%
in stock  
$361.00   $253.00
- +
  • 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:
AA0099CH
Chemical Name:
1-(4-Chloro-2-(3-methyl-1h-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethanone
CAS Number:
1125828-30-9
Molecular Formula:
C12H8ClF3N2O
Molecular Weight:
288.6529
MDL Number:
MFCD17215853
SMILES:
Clc1ccc(c(c1)n1ccc(n1)C)C(=O)C(F)(F)F
Properties
Computed Properties
 
Complexity:
350  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
2  
XLogP3:
3.7  

Upstream Synthesis Route

[1]Patent:US2009/62540,2009,A1,.Locationinpatent:Page/Pagecolumn7

[2]Patent:US2009/88447,2009,A1,.Locationinpatent:Page/Pagecolumn4

[1]Patent:WO2015/35113,2015,A1,.Locationinpatent:Page/Pagecolumn71;72

Downstream Synthesis Route

[1]Patent:US2009/62540,2009,A1.Locationinpatent:Page/Pagecolumn7

[2]Patent:US2009/88447,2009,A1.Locationinpatent:Page/Pagecolumn4

[1]Patent:US2009/62540,2009,A1.Locationinpatent:Page/Pagecolumn7-8

[2]Patent:US2009/88447,2009,A1.Locationinpatent:Page/Pagecolumn5

[3]Bioorganicandmedicinalchemistryletters,2016,vol.26,p.1124-1129

[1]Patent:WO2015/35113,2015,A1.Locationinpatent:Page/Pagecolumn71;72

[2]Bioorganicandmedicinalchemistryletters,2016,vol.26,p.1124-1129

67-56-1    1125828-30-9    73291-09-5   
C21H18ClF3N2O3 

[1]ACSCatalysis,2020,vol.10,p.994-998

1125828-30-9   
(3S)-8-(2-amino-6-((1R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)-2,8-diazaspiro4.5decane-3-carboxylicacid 

[1]Bioorganicandmedicinalchemistryletters,2016,vol.26,p.1124-1129

Literature
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SDS
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Tags:1125828-30-9 Molecular Formula|1125828-30-9 MDL|1125828-30-9 SMILES|1125828-30-9 1-(4-Chloro-2-(3-methyl-1h-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethanone |Heterocyclic_Building_Blocks