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18775-39-8 | Ethanone, 1-(5-bromo-7-ethyl-2-benzofuranyl)-
CAS No: 18775-39-8 Catalog No: AG002GHJ MDL No:
Product Description
Catalog Number:
AG002GHJ
Chemical Name:
Ethanone, 1-(5-bromo-7-ethyl-2-benzofuranyl)-
CAS Number:
18775-39-8
Molecular Formula:
C12H11BrO2
Molecular Weight:
267.1185
IUPAC Name:
1-(5-bromo-7-ethyl-1-benzofuran-2-yl)ethanone
InChI:
InChI=1S/C12H11BrO2/c1-3-8-4-10(13)5-9-6-11(7(2)14)15-12(8)9/h4-6H,3H2,1-2H3
InChI Key:
PPNZFWQOMJVVJT-UHFFFAOYSA-N
SMILES:
CCc1cc(Br)cc2c1oc(c2)C(=O)C
EC Number:
242-562-1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.994g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.122g/mol
Monoisotopic Mass:
265.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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