2-benzylsulfanyl-4-chlorobenzoic acid


Chemical Name: 2-benzylsulfanyl-4-chlorobenzoic acid
CAS Number: 40183-35-5
Product Number: AG00C9PI(AGN-PC-0N5CWZ)
Synonyms:
MDL No:
Molecular Formula: C14H11ClO2S
Molecular Weight: 278.7539

Identification/Properties


Properties
MP:
185-186°C
Form:
Solid
Computed Properties
Molecular Weight:
278.75g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
278.017g/mol
Monoisotopic Mass:
278.017g/mol
Topological Polar Surface Area:
62.6A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
279
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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