Home Halogens 3-Thiophenecarboxylic acid, 2,5-dibromo-, ethyl ester

3-Thiophenecarboxylic acid, 2,5-dibromo-, ethyl ester

CAS No.:
289470-44-6
Catalog Number:
AG002X5V
Molecular Formula:
C7H6Br2O2S
Molecular Weight:
313.9943
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Product Description
Catalog Number:
AG002X5V
Chemical Name:
3-Thiophenecarboxylic acid, 2,5-dibromo-, ethyl ester
CAS Number:
289470-44-6
Molecular Formula:
C7H6Br2O2S
Molecular Weight:
313.9943
MDL Number:
MFCD12032144
IUPAC Name:
ethyl 2,5-dibromothiophene-3-carboxylate
InChI:
InChI=1S/C7H6Br2O2S/c1-2-11-7(10)4-3-5(8)12-6(4)9/h3H,2H2,1H3
InChI Key:
JJXKSBHSHSKQEX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(sc1Br)Br
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.843g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.991g/mol
Monoisotopic Mass:
311.846g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties