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Home Other Building Blocks 857284-23-2
857284-23-2,MFCD07186456
Catalog No.:AA004P6H

857284-23-2 | 3-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid

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Price(USD)
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500mg
1 week  
$218.00   $153.00
- +
1g
1 week  
$313.00   $219.00
- +
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA004P6H
Chemical Name:
3-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid
CAS Number:
857284-23-2
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
MDL Number:
MFCD07186456
SMILES:
OC(=O)c1cccc(c1)Cn1cncn1
Properties
Properties
 
Form:
Solid  
MP:
210 - 212°C  
Storage:
2-8℃;Inert atmosphere;  

Computed Properties
 
Complexity:
235  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
0.4  

Literature

Title: Poly[[{mu(4)-3-[(1H-1,2,4-triazol-1-yl)methyl]benzoato}zinc(II)] hemihydrate]: a novel two-dimensional framework formed by self-association of zinc(II) sulfate with 3-[(1H-1,2,4-triazol-1-yl)methyl]benzoic acid.

Journal: Acta crystallographica. Section C, Crystal structure communications 20100601

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SDS
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Tags:857284-23-2 Molecular Formula|857284-23-2 MDL|857284-23-2 SMILES|857284-23-2 3-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid