2-Thiophenecarboxylic acid, 4-bromo-3-hydroxy-, methyl ester


Chemical Name: 2-Thiophenecarboxylic acid, 4-bromo-3-hydroxy-, methyl ester
CAS Number: 95201-93-7
Product Number: AG003RUR(AGN-PC-0KKYCP)
Synonyms:
MDL No:
Molecular Formula: C6H5BrO3S
Molecular Weight: 237.0711

Identification/Properties


Properties
MP:
79-80°C
BP:
247.9±35.0°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
237.067g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
235.914g/mol
Monoisotopic Mass:
235.914g/mol
Topological Polar Surface Area:
74.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
164
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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