1H-Pyrazole-3-carboxylic acid, 4-bromo-5-methyl-, ethyl ester


Chemical Name: 1H-Pyrazole-3-carboxylic acid, 4-bromo-5-methyl-, ethyl ester
CAS Number: 6076-14-8
Product Number: AG00EL2N(AGN-PC-0JTULP)
Synonyms:
MDL No:
Molecular Formula: C7H9BrN2O2
Molecular Weight: 233.0626

Identification/Properties


Properties
BP:
343.0±37.0°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
233.065g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
231.985g/mol
Monoisotopic Mass:
231.985g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
177
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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