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951887-29-9 | Ethyl 7-(2-Chloro-4,5-difluorophenyl)-7-oxoheptanoate
CAS No: 951887-29-9 Catalog No: AG01F8DN MDL No:
Product Description
Catalog Number:
AG01F8DN
Chemical Name:
Ethyl 7-(2-Chloro-4,5-difluorophenyl)-7-oxoheptanoate
CAS Number:
951887-29-9
Molecular Formula:
C15H17ClF2O3
Molecular Weight:
318.7435
IUPAC Name:
ethyl 7-(2-chloro-4,5-difluorophenyl)-7-oxoheptanoate
InChI:
InChI=1S/C15H17ClF2O3/c1-2-21-15(20)7-5-3-4-6-14(19)10-8-12(17)13(18)9-11(10)16/h8-9H,2-7H2,1H3
InChI Key:
LMXVHUKVKJRHBL-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCC(=O)c1cc(F)c(cc1Cl)F
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.083g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.745g/mol
Monoisotopic Mass:
318.083g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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