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10242-11-2 | 5-Bromobenzofuran-2-carboxylic acid
CAS No: 10242-11-2 Catalog No: AG0007FF MDL No:MFCD00093973
Product Description
Catalog Number:
AG0007FF
Chemical Name:
5-Bromobenzofuran-2-carboxylic acid
CAS Number:
10242-11-2
Molecular Formula:
C9H5BrO3
Molecular Weight:
241.0382
MDL Number:
MFCD00093973
IUPAC Name:
5-bromo-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C9H5BrO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
InChI Key:
QKUWZCOVKRUXKX-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)cc(o2)C(=O)O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.942g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.04g/mol
Monoisotopic Mass:
239.942g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Ethyl 5-bromo-1-benzofuran-2-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20110301 |
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