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Home Carboxys 1-Ethyl-1h-1,2,3-benzotriazole-5-carboxylic acid

1-Ethyl-1h-1,2,3-benzotriazole-5-carboxylic acid

CAS No.:
691363-31-2
Catalog Number:
AG00FAAE
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$94
- +
1g
98%
In Stock USA
United States
$232
- +
5g
98%
In Stock USA
United States
$700
- +
10g
98%
In Stock USA
United States
$1025
- +
Product Description
Catalog Number:
AG00FAAE
Chemical Name:
1-Ethyl-1h-1,2,3-benzotriazole-5-carboxylic acid
CAS Number:
691363-31-2
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
MDL Number:
MFCD05270868
IUPAC Name:
1-ethylbenzotriazole-5-carboxylic acid
InChI:
InChI=1S/C9H9N3O2/c1-2-12-8-4-3-6(9(13)14)5-7(8)10-11-12/h3-5H,2H2,1H3,(H,13,14)
InChI Key:
YFLSBGGTASGZIL-UHFFFAOYSA-N
SMILES:
CCn1nnc2c1ccc(c2)C(=O)O
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
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