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

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

CAS No.:
1266112-22-4
Catalog Number:
AG000T03
Molecular Formula:
C6H4BrFO2S
Molecular Weight:
239.0622
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Product Description
Catalog Number:
AG000T03
Chemical Name:
2-Thiophenecarboxylic acid, 4-bromo-5-fluoro-, methyl ester
CAS Number:
1266112-22-4
Molecular Formula:
C6H4BrFO2S
Molecular Weight:
239.0622
MDL Number:
MFCD28016918
IUPAC Name:
methyl 4-bromo-5-fluorothiophene-2-carboxylate
InChI:
InChI=1S/C6H4BrFO2S/c1-10-6(9)4-2-3(7)5(8)11-4/h2H,1H3
InChI Key:
DYLITJFSXJSIRJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(c(s1)F)Br
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.91g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.058g/mol
Monoisotopic Mass:
237.91g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties