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

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

CAS No.:
691363-08-3
Catalog Number:
AG00FGXL
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00FGXL
Chemical Name:
1-Cyclopentyl-1,2,3-benzotriazole-5-carboxylic acid
CAS Number:
691363-08-3
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
MDL Number:
MFCD09031748
IUPAC Name:
1-cyclopentylbenzotriazole-5-carboxylic acid
InChI:
InChI=1S/C12H13N3O2/c16-12(17)8-5-6-11-10(7-8)13-14-15(11)9-3-1-2-4-9/h5-7,9H,1-4H2,(H,16,17)
InChI Key:
PFTXWYUOGYWVRS-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)nnn2C1CCCC1
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
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