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951886-28-5 | Ethyl 7-(2-Chloro-4-fluorophenyl)-7-oxoheptanoate
CAS No: 951886-28-5 Catalog No: AG01F9E9 MDL No:
Product Description
Catalog Number:
AG01F9E9
Chemical Name:
Ethyl 7-(2-Chloro-4-fluorophenyl)-7-oxoheptanoate
CAS Number:
951886-28-5
Molecular Formula:
C15H18ClFO3
Molecular Weight:
300.7530
IUPAC Name:
ethyl 7-(2-chloro-4-fluorophenyl)-7-oxoheptanoate
InChI:
InChI=1S/C15H18ClFO3/c1-2-20-15(19)7-5-3-4-6-14(18)12-9-8-11(17)10-13(12)16/h8-10H,2-7H2,1H3
InChI Key:
SZRKDUTZRXHAIP-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCC(=O)c1ccc(cc1Cl)F
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.093g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.754g/mol
Monoisotopic Mass:
300.093g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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