Home Halogens 3-Thiophenecarboxylic acid, 5-bromo-2-chloro-, methyl ester

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

CAS No.:
1243475-64-0
Catalog Number:
AG000LW9
Molecular Formula:
C6H4BrClO2S
Molecular Weight:
255.5168
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Product Description
Catalog Number:
AG000LW9
Chemical Name:
3-Thiophenecarboxylic acid, 5-bromo-2-chloro-, methyl ester
CAS Number:
1243475-64-0
Molecular Formula:
C6H4BrClO2S
Molecular Weight:
255.5168
MDL Number:
MFCD16996058
IUPAC Name:
methyl 5-bromo-2-chlorothiophene-3-carboxylate
InChI:
InChI=1S/C6H4BrClO2S/c1-10-6(9)3-2-4(7)11-5(3)8/h2H,1H3
InChI Key:
ZBSUORCZXUIQQM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(sc1Cl)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:
253.88g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.51g/mol
Monoisotopic Mass:
253.88g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties