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120321-66-6,MFCD09031743
Catalog No.:AA009466

120321-66-6 | 1-Butyl-1,2,3-benzotriazole-5-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$112.00   $78.00
- +
5g
98%
in stock  
$311.00   $218.00
- +
25g
98%
in stock  
$809.00   $567.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA009466
Chemical Name:
1-Butyl-1,2,3-benzotriazole-5-carboxylic acid
CAS Number:
120321-66-6
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
MDL Number:
MFCD09031743
SMILES:
CCCCn1nnc2c1ccc(c2)C(=O)O
Properties
Computed Properties
 
Complexity:
260  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
2.1  

Literature

Title: 1-Alkyl-benzotriazole-5-carboxylic acids are highly selective agonists of the human orphan G-protein-coupled receptor GPR109b.

Journal: Journal of medicinal chemistry 20060223

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SDS
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Tags:120321-66-6 Molecular Formula|120321-66-6 MDL|120321-66-6 SMILES|120321-66-6 1-Butyl-1,2,3-benzotriazole-5-carboxylic acid