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951887-17-5 | Ethyl 8-(2-Chloro-6-fluorophenyl)-8-oxooctanoate
CAS No: 951887-17-5 Catalog No: AG01F9OE MDL No:
Product Description
Catalog Number:
AG01F9OE
Chemical Name:
Ethyl 8-(2-Chloro-6-fluorophenyl)-8-oxooctanoate
CAS Number:
951887-17-5
Molecular Formula:
C16H20ClFO3
Molecular Weight:
314.7796
IUPAC Name:
ethyl 8-(2-chloro-6-fluorophenyl)-8-oxooctanoate
InChI:
InChI=1S/C16H20ClFO3/c1-2-21-15(20)11-6-4-3-5-10-14(19)16-12(17)8-7-9-13(16)18/h7-9H,2-6,10-11H2,1H3
InChI Key:
QCRXOPOJZXJISE-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCC(=O)c1c(F)cccc1Cl
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.109g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.781g/mol
Monoisotopic Mass:
314.109g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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