2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid


Chemical Name: 2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CAS Number: 618070-43-2
Product Number: AG00EFUB(AGN-PC-0LO4EJ)
Synonyms:
MDL No:
Molecular Formula: C12H11FN2O2
Molecular Weight: 234.2263

Identification/Properties


Computed Properties
Molecular Weight:
234.23g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
234.08g/mol
Monoisotopic Mass:
234.08g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
280
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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