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239132-52-6 | 5-(2-Bromophenyl)cyclohexane-1,3-dione
CAS No: 239132-52-6 Catalog No: AG01FCTQ MDL No:
Product Description
Catalog Number:
AG01FCTQ
Chemical Name:
5-(2-Bromophenyl)cyclohexane-1,3-dione
CAS Number:
239132-52-6
Molecular Formula:
C12H11BrO2
Molecular Weight:
267.1185
IUPAC Name:
5-(2-bromophenyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C12H11BrO2/c13-12-4-2-1-3-11(12)8-5-9(14)7-10(15)6-8/h1-4,8H,5-7H2
InChI Key:
LVDPCSTZFXGYJB-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)CC(C1)c1ccccc1Br
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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