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951887-20-0 | Ethyl 4-(2-Chloro-4,5-difluorophenyl)-4-oxobutanoate
CAS No: 951887-20-0 Catalog No: AG01F8NH MDL No:
Product Description
Catalog Number:
AG01F8NH
Chemical Name:
Ethyl 4-(2-Chloro-4,5-difluorophenyl)-4-oxobutanoate
CAS Number:
951887-20-0
Molecular Formula:
C12H11ClF2O3
Molecular Weight:
276.6637
IUPAC Name:
ethyl 4-(2-chloro-4,5-difluorophenyl)-4-oxobutanoate
InChI:
InChI=1S/C12H11ClF2O3/c1-2-18-12(17)4-3-11(16)7-5-9(14)10(15)6-8(7)13/h5-6H,2-4H2,1H3
InChI Key:
XMWURXIAEKEYQM-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)c1cc(F)c(cc1Cl)F
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.036g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.664g/mol
Monoisotopic Mass:
276.036g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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