2-[(3-bromophenyl)methylsulfanyl]pyridine-3-carboxylic acid


Chemical Name: 2-[(3-bromophenyl)methylsulfanyl]pyridine-3-carboxylic acid
CAS Number: 450385-27-0
Product Number: AG019NB2(AGN-PC-0L7Y1P)
Synonyms:
MDL No: MFCD09732783
Molecular Formula: C13H10BrNO2S
Molecular Weight: 324.1930

Identification/Properties


Computed Properties
Molecular Weight:
324.192g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
322.962g/mol
Monoisotopic Mass:
322.962g/mol
Topological Polar Surface Area:
75.5A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
290
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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