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951887-53-9 | Ethyl 5-(3,4,5-trichlorophenyl)-5-oxovalerate
CAS No: 951887-53-9 Catalog No: AG01FAIK MDL No:
Product Description
Catalog Number:
AG01FAIK
Chemical Name:
Ethyl 5-(3,4,5-trichlorophenyl)-5-oxovalerate
CAS Number:
951887-53-9
Molecular Formula:
C13H13Cl3O3
Molecular Weight:
323.5995
IUPAC Name:
ethyl 5-oxo-5-(3,4,5-trichlorophenyl)pentanoate
InChI:
InChI=1S/C13H13Cl3O3/c1-2-19-12(18)5-3-4-11(17)8-6-9(14)13(16)10(15)7-8/h6-7H,2-5H2,1H3
InChI Key:
VJSBMEFRRDLGOA-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC(=O)c1cc(Cl)c(c(c1)Cl)Cl
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.993g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.594g/mol
Monoisotopic Mass:
321.993g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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