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Home Carboxys 2-(Trifluoromethyl)-1h-1,3-benzodiazole-4-carboxylic acid

2-(Trifluoromethyl)-1h-1,3-benzodiazole-4-carboxylic acid

CAS No.:
6866-57-5
Catalog Number:
AG00628M
Molecular Formula:
C9H5F3N2O2
Molecular Weight:
230.1434
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$84
- +
250mg
95%
In Stock USA
United States
$162
- +
1g
95%
In Stock USA
United States
$324
- +
5g
95%
In Stock USA
United States
$971
- +
Product Description
Catalog Number:
AG00628M
Chemical Name:
2-(Trifluoromethyl)-1h-1,3-benzodiazole-4-carboxylic acid
CAS Number:
6866-57-5
Molecular Formula:
C9H5F3N2O2
Molecular Weight:
230.1434
MDL Number:
MFCD06010066
IUPAC Name:
2-(trifluoromethyl)-1H-benzimidazole-4-carboxylic acid
InChI:
InChI=1S/C9H5F3N2O2/c10-9(11,12)8-13-5-3-1-2-4(7(15)16)6(5)14-8/h1-3H,(H,13,14)(H,15,16)
InChI Key:
HYGKNIWVMZCKJL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1[nH]c(n2)C(F)(F)F
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.03g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
230.146g/mol
Monoisotopic Mass:
230.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
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
Properties