Ethyl 5-bromo-1-methyl-1H-pyrazole-3-carboxylate


Chemical Name: Ethyl 5-bromo-1-methyl-1H-pyrazole-3-carboxylate
CAS Number: 1269293-48-2
Product Number: AG000WDA(AGN-PC-09Q69D)
Synonyms:
MDL No: MFCD17168482
Molecular Formula: C7H9BrN2O2
Molecular Weight: 233.0626

Identification/Properties


Computed Properties
Molecular Weight:
233.065g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
231.985g/mol
Monoisotopic Mass:
231.985g/mol
Topological Polar Surface Area:
44.1A^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

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NMR Spectrum


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