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

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

CAS No.:
120321-66-6
Catalog Number:
AG00948Y
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
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:
AG00948Y
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
IUPAC Name:
1-butylbenzotriazole-5-carboxylic acid
InChI:
InChI=1S/C11H13N3O2/c1-2-3-6-14-10-5-4-8(11(15)16)7-9(10)12-13-14/h4-5,7H,2-3,6H2,1H3,(H,15,16)
InChI Key:
XJQNSWOCRCXWHF-UHFFFAOYSA-N
SMILES:
CCCCn1nnc2c1ccc(c2)C(=O)O
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
4  
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