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951890-03-2 | Ethyl 4-(3-Chloro-4-fluorophenyl)-4-oxobutanoate
CAS No: 951890-03-2 Catalog No: AG01F9OS MDL No:
Product Description
Catalog Number:
AG01F9OS
Chemical Name:
Ethyl 4-(3-Chloro-4-fluorophenyl)-4-oxobutanoate
CAS Number:
951890-03-2
Molecular Formula:
C12H12ClFO3
Molecular Weight:
258.6733
IUPAC Name:
ethyl 4-(3-chloro-4-fluorophenyl)-4-oxobutanoate
InChI:
InChI=1S/C12H12ClFO3/c1-2-17-12(16)6-5-11(15)8-3-4-10(14)9(13)7-8/h3-4,7H,2,5-6H2,1H3
InChI Key:
FYVMHRXZOYCEJU-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)c1ccc(c(c1)Cl)F
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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