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951886-25-2 | Ethyl 6-(2-Chloro-4-fluorophenyl)-6-oxohexanoate
CAS No: 951886-25-2 Catalog No: AG01F9O5 MDL No:
Product Description
Catalog Number:
AG01F9O5
Chemical Name:
Ethyl 6-(2-Chloro-4-fluorophenyl)-6-oxohexanoate
CAS Number:
951886-25-2
Molecular Formula:
C14H16ClFO3
Molecular Weight:
286.7264
IUPAC Name:
ethyl 6-(2-chloro-4-fluorophenyl)-6-oxohexanoate
InChI:
InChI=1S/C14H16ClFO3/c1-2-19-14(18)6-4-3-5-13(17)11-8-7-10(16)9-12(11)15/h7-9H,2-6H2,1H3
InChI Key:
HPWSUMZNNNKCOT-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCC(=O)c1ccc(cc1Cl)F
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.727g/mol
Monoisotopic Mass:
286.077g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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