1-(4-bromobenzenesulfonyl)piperidine-3-carboxylic acid


Chemical Name: 1-(4-bromobenzenesulfonyl)piperidine-3-carboxylic acid
CAS Number: 377772-91-3
Product Number: AG00I7FZ(AGN-00I7AF)
Synonyms:
MDL No:
Molecular Formula: C12H14BrNO4S
Molecular Weight: 348.2129

Identification/Properties


Computed Properties
Molecular Weight:
348.211g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
346.983g/mol
Monoisotopic Mass:
346.983g/mol
Topological Polar Surface Area:
83.1A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
426
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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