3-Bromo-6-fluoro-1H-indazole-4-carboxylic acid


Chemical Name: 3-Bromo-6-fluoro-1H-indazole-4-carboxylic acid
CAS Number: 885522-01-0
Product Number: AG004F1C(AGN-PC-0WAKJL)
Synonyms:
MDL No:
Molecular Formula: C8H4BrFN2O2
Molecular Weight: 259.0320

Identification/Properties


Properties
BP:
491.7±40.0°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
259.034g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
257.944g/mol
Monoisotopic Mass:
257.944g/mol
Topological Polar Surface Area:
66A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
254
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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