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137242-41-2 | 3-Benzofurancarboxylic acid, 5-bromo-, ethyl ester
CAS No: 137242-41-2 Catalog No: AG0012ZN MDL No:MFCD09952364
Product Description
Catalog Number:
AG0012ZN
Chemical Name:
3-Benzofurancarboxylic acid, 5-bromo-, ethyl ester
CAS Number:
137242-41-2
Molecular Formula:
C11H9BrO3
Molecular Weight:
269.0914
MDL Number:
MFCD09952364
IUPAC Name:
ethyl 5-bromo-1-benzofuran-3-carboxylate
InChI:
InChI=1S/C11H9BrO3/c1-2-14-11(13)9-6-15-10-4-3-7(12)5-8(9)10/h3-6H,2H2,1H3
InChI Key:
ZBKAUMXETAHVCI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1coc2c1cc(Br)cc2
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.974g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.094g/mol
Monoisotopic Mass:
267.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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