2-Thiophenecarboxylic acid, 5-bromo-, methyl ester


Chemical Name: 2-Thiophenecarboxylic acid, 5-bromo-, methyl ester
CAS Number: 62224-19-5
Product Number: AG00ECC8(AGN-PC-0JTO5V)
Synonyms:
MDL No: MFCD03233845
Molecular Formula: C6H5BrO2S
Molecular Weight: 221.0717

Identification/Properties


Properties
MP:
87-88℃
BP:
251.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
221.068g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
219.919g/mol
Monoisotopic Mass:
219.919g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
140
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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