1H-Pyrazole-5-carboxylic acid, 4-iodo-1-methyl-


Chemical Name: 1H-Pyrazole-5-carboxylic acid, 4-iodo-1-methyl-
CAS Number: 75092-30-7
Product Number: AG0035VK(AGN-PC-0JUR3L)
Synonyms:
MDL No:
Molecular Formula: C5H5IN2O2
Molecular Weight: 252.0099

Identification/Properties


Properties
MP:
242°C(lit.)
BP:
362.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
252.011g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
251.94g/mol
Monoisotopic Mass:
251.94g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
153
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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