Benzo[b]thiophene-2,3-dione


Chemical Name: Benzo[b]thiophene-2,3-dione
CAS Number: 493-57-2
Product Number: AG0070NZ(AGN-PC-0JM2F6)
Synonyms:
MDL No:
Molecular Formula: C8H4O2S
Molecular Weight: 164.1812

Identification/Properties


Computed Properties
Molecular Weight:
164.178g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
163.993g/mol
Monoisotopic Mass:
163.993g/mol
Topological Polar Surface Area:
59.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
212
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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