2-Thiophenecarboxylic acid, 5-bromo-4-fluoro-, methyl ester


Chemical Name: 2-Thiophenecarboxylic acid, 5-bromo-4-fluoro-, methyl ester
CAS Number: 395664-59-2
Product Number: AG00BXXY(AGN-PC-00PKP1)
Synonyms:
MDL No:
Molecular Formula: C6H4BrFO2S
Molecular Weight: 239.0622

Identification/Properties


Computed Properties
Molecular Weight:
239.058g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
237.91g/mol
Monoisotopic Mass:
237.91g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
167
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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