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26198-21-0

26198-21-0 | 1H-Benzotriazole, 1-hydroxy-6-(trifluoromethyl)-

CAS No: 26198-21-0 Catalog No: AG002S8D MDL No:MFCD00038806

Product Description

Catalog Number:
AG002S8D
Chemical Name:
1H-Benzotriazole, 1-hydroxy-6-(trifluoromethyl)-
CAS Number:
26198-21-0
Molecular Formula:
C7H4F3N3O
Molecular Weight:
203.1214
MDL Number:
MFCD00038806
IUPAC Name:
1-hydroxy-6-(trifluoromethyl)benzotriazole
InChI:
InChI=1S/C7H4F3N3O/c8-7(9,10)4-1-2-5-6(3-4)13(14)12-11-5/h1-3,14H
InChI Key:
DGIBHCWBCOAPDN-UHFFFAOYSA-N
SMILES:
On1nnc2c1cc(cc2)C(F)(F)F

Properties

Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.031g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.124g/mol
Monoisotopic Mass:
203.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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
O-selectivity and utility of phosphorylation mediated by phosphite triester intermediates in the N-unprotected phosphoramidite method. Journal of the American Chemical Society 20040908

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