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1633-14-3 | 2,5-Cyclohexadiene-1,4-dione, 2,5-dibromo-
CAS No: 1633-14-3 Catalog No: AG001U0J MDL No:MFCD00156859
Product Description
Catalog Number:
AG001U0J
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2,5-dibromo-
CAS Number:
1633-14-3
Molecular Formula:
C6H2Br2O2
Molecular Weight:
265.8869
MDL Number:
MFCD00156859
IUPAC Name:
2,5-dibromocyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C6H2Br2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H
InChI Key:
KNPAQJBQOIAPBP-UHFFFAOYSA-N
SMILES:
BrC1=CC(=O)C(=CC1=O)Br
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.84g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.888g/mol
Monoisotopic Mass:
263.842g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Occurrence and formation of chloro- and bromo-benzoquinones during drinking water disinfection. | Water research 20120915 |
| Electrospray ionization tandem mass spectrometry analysis of the reactivity of structurally related bromo-methyl-benzoquinones toward oligonucleotides. | Analytical chemistry 20111101 |
| Total syntheses of demethylasterriquinone B1, an orally active insulin mimetic, and demethylasterriquinone A1. | The Journal of organic chemistry 20021115 |
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