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Home Other Building Blocks 1002535-21-8
1002535-21-8,MFCD06739075
Catalog No.:AA0001B6

1002535-21-8 | 3-(1H-Pyrazol-4-yl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$44.00   $31.00
- +
250mg
95%
in stock  
$61.00   $43.00
- +
1g
95%
in stock  
$107.00   $75.00
- +
5g
95%
in stock  
$331.00   $232.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0001B6
Chemical Name:
3-(1H-Pyrazol-4-yl)benzoic acid
CAS Number:
1002535-21-8
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD06739075
SMILES:
OC(=O)c1cccc(c1)c1c[nH]nc1
Properties
Computed Properties
 
Complexity:
220  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
1.4  

Downstream Synthesis Route
25487-66-5    575452-22-1   
3-(1-H-pyrazole-4-yl)benzoicacid 

[1]TetrahedronLetters,2005,vol.46,p.5751-5754

[1]CurrentPatentAssignee:MICHIGANSTATEUNIVERSITY-WO2016/73847,2016,A2Locationinpatent:Paragraph00184

[1]CurrentPatentAssignee:MICHIGANSTATEUNIVERSITY-WO2016/73847,2016,A2Locationinpatent:Paragraph00226

[1]Hutchings,KimM.;Lisabeth,ErikaM.;Rajeswaran,Walajapet;Wilson,MichaelW.;Sorenson,RoderickJ.;Campbell,PhillipL.;Ruth,JeffreyH.;Amin,Asif;Tsou,Pei-Suen;Leipprandt,JeffreyR.;Olson,SamuelR.;Wen,Bo;Zhao,Ting;Sun,Duxin;Khanna,Dinesh;Fox,DavidA.;Neubig,RichardR.;Larsen,ScottD.[BioorganicandMedicinalChemistryLetters,2017,vol.27,#8,p.1744-1749]

[1]Hutchings,KimM.;Lisabeth,ErikaM.;Rajeswaran,Walajapet;Wilson,MichaelW.;Sorenson,RoderickJ.;Campbell,PhillipL.;Ruth,JeffreyH.;Amin,Asif;Tsou,Pei-Suen;Leipprandt,JeffreyR.;Olson,SamuelR.;Wen,Bo;Zhao,Ting;Sun,Duxin;Khanna,Dinesh;Fox,DavidA.;Neubig,RichardR.;Larsen,ScottD.[BioorganicandMedicinalChemistryLetters,2017,vol.27,#8,p.1744-1749]

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SDS
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Tags:1002535-21-8 Molecular Formula|1002535-21-8 MDL|1002535-21-8 SMILES|1002535-21-8 3-(1H-Pyrazol-4-yl)benzoic acid