2-Thiophenecarboxylic acid, 5-chloro-4-nitro-, methyl ester


Chemical Name: 2-Thiophenecarboxylic acid, 5-chloro-4-nitro-, methyl ester
CAS Number: 57800-76-7
Product Number: AG003RXN(AGN-PC-00LG4A)
Synonyms:
MDL No: MFCD08275718
Molecular Formula: C6H4ClNO4S
Molecular Weight: 221.6183

Identification/Properties


Properties
MP:
83-84℃
BP:
358.2°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
221.611g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
220.955g/mol
Monoisotopic Mass:
220.955g/mol
Topological Polar Surface Area:
100A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
231
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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