2-Thiophenecarboxylic acid, 3-bromo-, methyl ester


Chemical Name: 2-Thiophenecarboxylic acid, 3-bromo-, methyl ester
CAS Number: 26137-08-6
Product Number: AG002RU2(AGN-PC-0KKAD3)
Synonyms:
MDL No: MFCD00173839
Molecular Formula: C6H5BrO2S
Molecular Weight: 221.0717

Identification/Properties


Properties
MP:
50 °C
BP:
251.7 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
221.068g/mol
XLogP3:
2.5
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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