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

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

CAS No.:
691363-11-8
Catalog Number:
AG00FGXN
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
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:
AG00FGXN
Chemical Name:
1-Cyclohexyl-1,2,3-benzotriazole-5-carboxylic acid
CAS Number:
691363-11-8
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
MDL Number:
MFCD06589795
IUPAC Name:
1-cyclohexylbenzotriazole-5-carboxylic acid
InChI:
InChI=1S/C13H15N3O2/c17-13(18)9-6-7-12-11(8-9)14-15-16(12)10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,17,18)
InChI Key:
GLIAIPXYMCWRTG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)nnn2C1CCCCC1
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.116g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
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