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951887-05-1 | Ethyl 4-(2-Chloro-6-fluorophenyl)-4-oxobutanoate
CAS No: 951887-05-1 Catalog No: AG01F9OC MDL No:
Product Description
Catalog Number:
AG01F9OC
Chemical Name:
Ethyl 4-(2-Chloro-6-fluorophenyl)-4-oxobutanoate
CAS Number:
951887-05-1
Molecular Formula:
C12H12ClFO3
Molecular Weight:
258.6733
IUPAC Name:
ethyl 4-(2-chloro-6-fluorophenyl)-4-oxobutanoate
InChI:
InChI=1S/C12H12ClFO3/c1-2-17-11(16)7-6-10(15)12-8(13)4-3-5-9(12)14/h3-5H,2,6-7H2,1H3
InChI Key:
UYORWWVWDVMTJY-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)c1c(F)cccc1Cl
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.673g/mol
Monoisotopic Mass:
258.046g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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