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898777-87-2 | Ethyl 5-(2,3-dichlorophenyl)-5-oxovalerate
CAS No: 898777-87-2 Catalog No: AG01FBFI MDL No:
Product Description
Catalog Number:
AG01FBFI
Chemical Name:
Ethyl 5-(2,3-dichlorophenyl)-5-oxovalerate
CAS Number:
898777-87-2
Molecular Formula:
C13H14Cl2O3
Molecular Weight:
289.1545
IUPAC Name:
ethyl 5-(2,3-dichlorophenyl)-5-oxopentanoate
InChI:
InChI=1S/C13H14Cl2O3/c1-2-18-12(17)8-4-7-11(16)9-5-3-6-10(14)13(9)15/h3,5-6H,2,4,7-8H2,1H3
InChI Key:
AHVRXUCTWJXLNS-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC(=O)c1cccc(c1Cl)Cl
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.032g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.152g/mol
Monoisotopic Mass:
288.032g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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