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1216614-19-5 | 5-(5-Bromo-2-furyl)cyclohexane-1,3-dione
CAS No: 1216614-19-5 Catalog No: AG01FBX5 MDL No:
Product Description
Catalog Number:
AG01FBX5
Chemical Name:
5-(5-Bromo-2-furyl)cyclohexane-1,3-dione
CAS Number:
1216614-19-5
Molecular Formula:
C10H9BrO3
Molecular Weight:
257.0807
IUPAC Name:
5-(5-bromofuran-2-yl)cyclohexane-1,3-dione
InChI:
InChI=1S/C10H9BrO3/c11-10-2-1-9(14-10)6-3-7(12)5-8(13)4-6/h1-2,6H,3-5H2
InChI Key:
VDUOIKMUXZANJS-UHFFFAOYSA-N
SMILES:
O=C1CC(CC(=O)C1)c1ccc(o1)Br
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.083g/mol
Monoisotopic Mass:
255.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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