1-Piperidinecarboxylic acid, 4-(5-bromo-2-thienyl)-, 1,1-dimethylethyl ester


Chemical Name: 1-Piperidinecarboxylic acid, 4-(5-bromo-2-thienyl)-, 1,1-dimethylethyl ester
CAS Number: 951259-22-6
Product Number: AG019EU0(AG019EU0)
Synonyms:
MDL No:
Molecular Formula: C14H20BrNO2S
Molecular Weight: 346.2831

Identification/Properties


Computed Properties
Molecular Weight:
346.283g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
345.04g/mol
Monoisotopic Mass:
345.04g/mol
Topological Polar Surface Area:
57.8A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
324
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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