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


Chemical Name: 3-chloro-4-(4-methylpiperazin-1-yl)benzoic acid
CAS Number: 1197193-33-1
Product Number: AG000PIN(AGN-PC-09T3XL)
Synonyms:
MDL No: MFCD13191625
Molecular Formula: C12H15ClN2O2
Molecular Weight: 254.7127

Identification/Properties


Properties
Storage:
Room Temperature;
Computed Properties
Molecular Weight:
254.714g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
254.082g/mol
Monoisotopic Mass:
254.082g/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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