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52817-12-6 | 6-Bromo-4-oxo-4H-chromene-3-carbaldehyde
CAS No: 52817-12-6 Catalog No: AG003N4H MDL No:MFCD00191849
Product Description
Catalog Number:
AG003N4H
Chemical Name:
6-Bromo-4-oxo-4H-chromene-3-carbaldehyde
CAS Number:
52817-12-6
Molecular Formula:
C10H5BrO3
Molecular Weight:
253.0489
MDL Number:
MFCD00191849
IUPAC Name:
6-bromo-4-oxochromene-3-carbaldehyde
InChI:
InChI=1S/C10H5BrO3/c11-7-1-2-9-8(3-7)10(13)6(4-12)5-14-9/h1-5H
InChI Key:
PCEZXSJBHMOQFT-UHFFFAOYSA-N
SMILES:
O=Cc1coc2c(c1=O)cc(cc2)Br
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.942g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.051g/mol
Monoisotopic Mass:
251.942g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Biological activity of 3-formylchromones and related compounds. | In vivo (Athens, Greece) 20070101 |
| Formylchromone derivatives as a novel class of protein tyrosine phosphatase 1B inhibitors. | Bioorganic & medicinal chemistry letters 20030804 |
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