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113882-58-9 | 1-Propanone, 2,2-dichloro-1-phenyl-3-propoxy-
CAS No: 113882-58-9 Catalog No: AG0009ZU MDL No:
Product Description
Catalog Number:
AG0009ZU
Chemical Name:
1-Propanone, 2,2-dichloro-1-phenyl-3-propoxy-
CAS Number:
113882-58-9
Molecular Formula:
C12H14Cl2O2
Molecular Weight:
261.1444
IUPAC Name:
2,2-dichloro-1-phenyl-3-propoxypropan-1-one
InChI:
InChI=1S/C12H14Cl2O2/c1-2-8-16-9-12(13,14)11(15)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChI Key:
ARQSVDMTCOENFS-UHFFFAOYSA-N
SMILES:
CCCOCC(C(=O)c1ccccc1)(Cl)Cl
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.037g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.142g/mol
Monoisotopic Mass:
260.037g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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