sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 1-Isopropyl-1,2,3-benzotriazole-5-carboxylic acid

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

CAS No.:
306935-41-1
Catalog Number:
AG0030VT
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$188
- +
10g
98%
In Stock USA
United States
$313
- +
25g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG0030VT
Chemical Name:
1-Isopropyl-1,2,3-benzotriazole-5-carboxylic acid
CAS Number:
306935-41-1
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
MDL Number:
MFCD01570664
IUPAC Name:
1-propan-2-ylbenzotriazole-5-carboxylic acid
InChI:
InChI=1S/C10H11N3O2/c1-6(2)13-9-4-3-7(10(14)15)5-8(9)11-12-13/h3-6H,1-2H3,(H,14,15)
InChI Key:
RUTVRAJKELSHCC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)nnn2C(C)C
Properties
Complexity:
257  
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:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Fragment-based design of symmetrical bis-benzimidazoles as selective inhibitors of the trimethoprim-resistant, type II R67 dihydrofolate reductase. Journal of medicinal chemistry 20120412
Nicotinic acid receptor agonists. Journal of medicinal chemistry 20081225
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