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38220-75-6 | 1-(5-Bromobenzofuran-2-yl)ethanone
CAS No: 38220-75-6 Catalog No: AG003D16 MDL No:MFCD00276737
Product Description
Catalog Number:
AG003D16
Chemical Name:
1-(5-Bromobenzofuran-2-yl)ethanone
CAS Number:
38220-75-6
Molecular Formula:
C10H7BrO2
Molecular Weight:
239.0654
MDL Number:
MFCD00276737
IUPAC Name:
1-(5-bromo-1-benzofuran-2-yl)ethanone
InChI:
InChI=1S/C10H7BrO2/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-5H,1H3
InChI Key:
YPIQPBGNNXXKNI-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)cc(o2)C(=O)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.963g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.068g/mol
Monoisotopic Mass:
237.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| 1-(5-Bromo-1-benzofuran-2-yl)ethanone. | Acta crystallographica. Section E, Structure reports online 20120601 |
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