Home Aldehydes 113934-27-3
113934-27-3,MFCD01109282
Catalog No.:AA000A10
113934-27-3 | 1-(4-Chlorophenyl)-1H-1,2,3-triazole-4-carbaldehyde
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1mg
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5mg
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$538.00   $377.00
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10mg
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$581.00   $407.00
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500mg
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1g
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5g
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10g
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA000A10
Chemical Name:
1-(4-Chlorophenyl)-1H-1,2,3-triazole-4-carbaldehyde
CAS Number:
113934-27-3
Molecular Formula:
C9H6ClN3O
Molecular Weight:
207.6164
MDL Number:
MFCD01109282
IUPAC Name:
1-(4-chlorophenyl)triazole-4-carbaldehyde
InChI:
InChI=1S/C9H6ClN3O/c10-7-1-3-9(4-2-7)13-5-8(6-14)11-12-13/h1-6H
InChI Key:
QMQRIACXYRMOBZ-UHFFFAOYSA-N
SMILES:
O=Cc1nnn(c1)c1ccc(cc1)Cl
Properties
Computed Properties
 
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.02g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.617g/mol
Monoisotopic Mass:
207.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbaldehyde 
113934-27-3 
SCHEMBL14610999 
CTK4A8523 
DTXSID00372734 
KS-00001WC4 
ZINC3844470 
2342AA 
ANW-55886 
MFCD01109282 
SBB093931 
AKOS004904333 
1-(4-chlorophenyl)triazole-4-carbaldehyde 
4F-375S 
AB08296 
RP12104 
RTR-002646 
AJ-45825 
TR-002646 
FT-0680348 
J-503270 
I14-28461 
F2157-0742 
1-(4-chlorophenyl)-1,2,3-triazole-4-carbaldehyde 
1H-1,2,3-Triazole-4-carboxaldehyde, 1-(4-chlorophenyl)- 
1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbaldehyde, AldrichCPR 
ZINC03844470 
CID2748769 
1H-1,2,3-Triazole-4-carboxaldehyde,1-(4-chlorophenyl)- 
AC1MCOTS 
ACMC-20a3ts 
C9H6ClN3O 
chlorophenyltriazolecarbaldehyde 
CHEMBL1823299 
Literature

Title: Novel 1,2,3-triazole derivatives for use against Mycobacterium tuberculosis H37Rv (ATCC 27294) strain.

Journal: Journal of medicinal chemistry 20110908

Title: Synthesis, tuberculosis inhibitory activity, and SAR study of N-substituted-phenyl-1,2,3-triazole derivatives.

Journal: Bioorganic & medicinal chemistry 20061215

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