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84388-80-7 | 2,4-Pentanedione, 3-chloro-3-(2-chlorohexyl)-
CAS No: 84388-80-7 Catalog No: AG0055RO MDL No:
Product Description
Catalog Number:
AG0055RO
Chemical Name:
2,4-Pentanedione, 3-chloro-3-(2-chlorohexyl)-
CAS Number:
84388-80-7
Molecular Formula:
C11H18Cl2O2
Molecular Weight:
253.1654
IUPAC Name:
3-chloro-3-(2-chlorohexyl)pentane-2,4-dione
InChI:
InChI=1S/C11H18Cl2O2/c1-4-5-6-10(12)7-11(13,8(2)14)9(3)15/h10H,4-7H2,1-3H3
InChI Key:
AMRITJSEWGXUHE-UHFFFAOYSA-N
SMILES:
CCCCC(CC(C(=O)C)(C(=O)C)Cl)Cl
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.068g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.163g/mol
Monoisotopic Mass:
252.068g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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