5-bromo-1H-pyrazole-3-carboxylic acid


Chemical Name: 5-bromo-1H-pyrazole-3-carboxylic acid
CAS Number: 1328893-16-8
Product Number: AG0011BO(AGN-PC-038MS0)
Synonyms:
MDL No:
Molecular Formula: C4H3BrN2O2
Molecular Weight: 190.9828

Identification/Properties


Computed Properties
Molecular Weight:
190.984g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
189.938g/mol
Monoisotopic Mass:
189.938g/mol
Topological Polar Surface Area:
66A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
130
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


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