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87465-65-4 | 2-Pentanone, 1-bromo-5-chloro-1-(4-chlorophenoxy)-3,3-dimethyl-
CAS No: 87465-65-4 Catalog No: AG004EPX MDL No:
Product Description
Catalog Number:
AG004EPX
Chemical Name:
2-Pentanone, 1-bromo-5-chloro-1-(4-chlorophenoxy)-3,3-dimethyl-
CAS Number:
87465-65-4
Molecular Formula:
C13H15BrCl2O2
Molecular Weight:
354.0670
IUPAC Name:
1-bromo-5-chloro-1-(4-chlorophenoxy)-3,3-dimethylpentan-2-one
InChI:
InChI=1S/C13H15BrCl2O2/c1-13(2,7-8-15)11(17)12(14)18-10-5-3-9(16)4-6-10/h3-6,12H,7-8H2,1-2H3
InChI Key:
FRDRHEHSZBUYNJ-UHFFFAOYSA-N
SMILES:
ClCCC(C(=O)C(Oc1ccc(cc1)Cl)Br)(C)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.963g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.065g/mol
Monoisotopic Mass:
351.963g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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