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


Chemical Name: 1H-Pyrazole-5-carboxylic acid, 4-bromo-1-methyl-
CAS Number: 84547-84-2
Product Number: AG008HN4(AGN-PC-0JUR3K)
Synonyms:
MDL No:
Molecular Formula: C5H5BrN2O2
Molecular Weight: 205.0094

Identification/Properties


Computed Properties
Molecular Weight:
205.011g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
203.953g/mol
Monoisotopic Mass:
203.953g/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

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NMR Spectrum


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