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

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

CAS No.:
691363-24-3
Catalog Number:
AG00FGYH
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$75
- +
5g
96%
In Stock USA
United States
$225
- +
25g
96%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00FGYH
Chemical Name:
1-tert-Butyl-1,2,3-benzotriazole-5-carboxylic acid
CAS Number:
691363-24-3
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
MDL Number:
MFCD09031738
IUPAC Name:
1-tert-butylbenzotriazole-5-carboxylic acid
InChI:
InChI=1S/C11H13N3O2/c1-11(2,3)14-9-5-4-7(10(15)16)6-8(9)12-13-14/h4-6H,1-3H3,(H,15,16)
InChI Key:
PIEIBXKCDFTGNA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)nnn2C(C)(C)C
Properties
Complexity:
287  
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:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
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