1H-Pyrazole-5-carboxaldehyde, 4-bromo-1-methyl-


Chemical Name: 1H-Pyrazole-5-carboxaldehyde, 4-bromo-1-methyl-
CAS Number: 473528-88-0
Product Number: AG0038Q3(AGN-PC-0KL6ZW)
Synonyms:
MDL No:
Molecular Formula: C5H5BrN2O
Molecular Weight: 189.0100

Identification/Properties


Computed Properties
Molecular Weight:
189.012g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
187.959g/mol
Monoisotopic Mass:
187.959g/mol
Topological Polar Surface Area:
34.9A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
120
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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