3-chloro-6-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid


Chemical Name: 3-chloro-6-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid
CAS Number: 923849-73-4
Product Number: AG00IH4D(AGN-PC-00UY7W)
Synonyms:
MDL No:
Molecular Formula: C10H4ClF3O2S
Molecular Weight: 280.6508

Identification/Properties


Computed Properties
Molecular Weight:
280.645g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
279.957g/mol
Monoisotopic Mass:
279.957g/mol
Topological Polar Surface Area:
65.5A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
323
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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