3-fluoro-4-(4-methylpiperazin-1-yl)benzoic acid


Chemical Name: 3-fluoro-4-(4-methylpiperazin-1-yl)benzoic acid
CAS Number: 250683-76-2
Product Number: AG002QCL(AGN-PC-01VP0A)
Synonyms:
MDL No: MFCD11156515
Molecular Formula: C12H15FN2O2
Molecular Weight: 238.2581

Identification/Properties


Properties
Storage:
Room Temperature;
Computed Properties
Molecular Weight:
238.262g/mol
XLogP3:
-0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
238.112g/mol
Monoisotopic Mass:
238.112g/mol
Topological Polar Surface Area:
43.8A^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

Safety Information


NMR Spectrum


Other Analytical Data


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