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951887-59-5 | Ethyl 7-(3,4,5-trichlorophenyl)-7-oxoheptanoate
CAS No: 951887-59-5 Catalog No: AG01F9Y9 MDL No:
Product Description
Catalog Number:
AG01F9Y9
Chemical Name:
Ethyl 7-(3,4,5-trichlorophenyl)-7-oxoheptanoate
CAS Number:
951887-59-5
Molecular Formula:
C15H17Cl3O3
Molecular Weight:
351.6527
IUPAC Name:
ethyl 7-oxo-7-(3,4,5-trichlorophenyl)heptanoate
InChI:
InChI=1S/C15H17Cl3O3/c1-2-21-14(20)7-5-3-4-6-13(19)10-8-11(16)15(18)12(17)9-10/h8-9H,2-7H2,1H3
InChI Key:
OTAFIWSCQVQRSD-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCC(=O)c1cc(Cl)c(c(c1)Cl)Cl
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.024g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.648g/mol
Monoisotopic Mass:
350.024g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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