1-(4-fluorophenyl)-5-methyltriazole-4-carboxylic acid


Chemical Name: 1-(4-fluorophenyl)-5-methyltriazole-4-carboxylic acid
CAS Number: 887035-89-4
Product Number: AG003CZJ(AGN-PC-0LUC3H)
Synonyms:
MDL No: MFCD07397776
Molecular Formula: C10H8FN3O2
Molecular Weight: 221.1878

Identification/Properties


Properties
Storage:
2-8℃;Inert atmosphere;
Computed Properties
Molecular Weight:
221.191g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
221.06g/mol
Monoisotopic Mass:
221.06g/mol
Topological Polar Surface Area:
68A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
269
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-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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