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Home Carboxys 1-Propyl-1,2,3-benzotriazole-5-carboxylic acid

1-Propyl-1,2,3-benzotriazole-5-carboxylic acid

CAS No.:
691363-12-9
Catalog Number:
AG00FGYJ
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$250
- +
5g
98%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG00FGYJ
Chemical Name:
1-Propyl-1,2,3-benzotriazole-5-carboxylic acid
CAS Number:
691363-12-9
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
MDL Number:
MFCD09031745
IUPAC Name:
1-propylbenzotriazole-5-carboxylic acid
InChI:
InChI=1S/C10H11N3O2/c1-2-5-13-9-4-3-7(10(14)15)6-8(9)11-12-13/h3-4,6H,2,5H2,1H3,(H,14,15)
InChI Key:
JCDAFVMXCOGHRL-UHFFFAOYSA-N
SMILES:
CCCn1nnc2c1ccc(c2)C(=O)O
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.085g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.217g/mol
Monoisotopic Mass:
205.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
1-Alkyl-benzotriazole-5-carboxylic acids are highly selective agonists of the human orphan G-protein-coupled receptor GPR109b. Journal of medicinal chemistry 20060223
Properties