Benzo[b]thiophene-2-carboxylic acid, 5-nitro-


Chemical Name: Benzo[b]thiophene-2-carboxylic acid, 5-nitro-
CAS Number: 6345-55-7
Product Number: AG00E9TH(AGN-PC-0JOEGM)
Synonyms:
MDL No:
Molecular Formula: C9H5NO4S
Molecular Weight: 223.2053

Identification/Properties


Properties
MP:
239-241 °C
BP:
473.6°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
223.202g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
222.994g/mol
Monoisotopic Mass:
222.994g/mol
Topological Polar Surface Area:
111A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
290
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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