1H-Pyrazole-3-carboxaldehyde, 4-bromo-


Chemical Name: 1H-Pyrazole-3-carboxaldehyde, 4-bromo-
CAS Number: 287917-97-9
Product Number: AG002WH1(AGN-PC-0O8LWR)
Synonyms:
MDL No:
Molecular Formula: C4H3BrN2O
Molecular Weight: 174.9834

Identification/Properties


Properties
MP:
178-180°C
BP:
338.3°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
174.985g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
173.943g/mol
Monoisotopic Mass:
173.943g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
98
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


NMR Spectrum


Other Analytical Data


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