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144128-71-2 | 1,3-Cyclohexanedione, 5-(3-bromophenyl)-
CAS No: 144128-71-2 Catalog No: AG001IZ8 MDL No:MFCD03844399
Product Description
Catalog Number:
AG001IZ8
Chemical Name:
1,3-Cyclohexanedione, 5-(3-bromophenyl)-
CAS Number:
144128-71-2
Molecular Formula:
C12H11BrO2
Molecular Weight:
267.1185
MDL Number:
MFCD03844399
IUPAC Name:
5-(3-bromophenyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C12H11BrO2/c13-10-3-1-2-8(4-10)9-5-11(14)7-12(15)6-9/h1-4,9H,5-7H2
InChI Key:
YZWQTKIZVUKNPW-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)CC(C1)c1cccc(c1)Br
Properties
Complexity:
259
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:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Cyclohexane 1,3-diones and their inhibition of mutant SOD1-dependent protein aggregation and toxicity in PC12 cells. | Bioorganic & medicinal chemistry 20120115 |
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