2-fluoro-6-(triazol-2-yl)benzoic acid


Chemical Name: 2-fluoro-6-(triazol-2-yl)benzoic acid
CAS Number: 1186050-58-7
Product Number: AG0075TJ(AGN-PC-0H904C)
Synonyms:
MDL No:
Molecular Formula: C9H6FN3O2
Molecular Weight: 207.1612

Identification/Properties


Computed Properties
Molecular Weight:
207.164g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
207.044g/mol
Monoisotopic Mass:
207.044g/mol
Topological Polar Surface Area:
68A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
246
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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