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951886-47-8 | Ethyl 8-(4-Chloro-2-fluorophenyl)-8-oxooctanoate
CAS No: 951886-47-8 Catalog No: AG01F9O9 MDL No:
Product Description
Catalog Number:
AG01F9O9
Chemical Name:
Ethyl 8-(4-Chloro-2-fluorophenyl)-8-oxooctanoate
CAS Number:
951886-47-8
Molecular Formula:
C16H20ClFO3
Molecular Weight:
314.7796
IUPAC Name:
ethyl 8-(4-chloro-2-fluorophenyl)-8-oxooctanoate
InChI:
InChI=1S/C16H20ClFO3/c1-2-21-16(20)8-6-4-3-5-7-15(19)13-10-9-12(17)11-14(13)18/h9-11H,2-8H2,1H3
InChI Key:
LQICYLOVZVTMOW-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCC(=O)c1ccc(cc1F)Cl
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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