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88562-24-7 | 1,3-Cyclohexanedione, 2-(4-bromo-2-chlorobenzoyl)-
CAS No: 88562-24-7 Catalog No: AG004BTN MDL No:
Product Description
Catalog Number:
AG004BTN
Chemical Name:
1,3-Cyclohexanedione, 2-(4-bromo-2-chlorobenzoyl)-
CAS Number:
88562-24-7
Molecular Formula:
C13H10BrClO3
Molecular Weight:
329.5737
IUPAC Name:
2-(4-bromo-2-chlorobenzoyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C13H10BrClO3/c14-7-4-5-8(9(15)6-7)13(18)12-10(16)2-1-3-11(12)17/h4-6,12H,1-3H2
InChI Key:
QJISAJVPIJVNOX-UHFFFAOYSA-N
SMILES:
O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)Br
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.95g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.574g/mol
Monoisotopic Mass:
327.95g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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