3-(3,4-difluorophenyl)sulfanylpropanoic acid


Chemical Name: 3-(3,4-difluorophenyl)sulfanylpropanoic acid
CAS Number: 863667-96-3
Product Number: AG019OJF(AGN-PC-0LK9GD)
Synonyms:
MDL No: MFCD07339036
Molecular Formula: C9H8F2O2S
Molecular Weight: 218.2204

Identification/Properties


Computed Properties
Molecular Weight:
218.218g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
218.021g/mol
Monoisotopic Mass:
218.021g/mol
Topological Polar Surface Area:
62.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
201
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


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