Benzo[b]thiophene-2-carboxylic acid, 4-(trifluoromethyl)-


Chemical Name: Benzo[b]thiophene-2-carboxylic acid, 4-(trifluoromethyl)-
CAS Number: 826995-55-5
Product Number: AG0051SQ(AGN-PC-03GHGV)
Synonyms:
MDL No:
Molecular Formula: C10H5F3O2S
Molecular Weight: 246.2057

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
246.203g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
245.996g/mol
Monoisotopic Mass:
245.996g/mol
Topological Polar Surface Area:
65.5A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
292
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


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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