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1260808-42-1 | Ethyl (4-chloro-3-fluorobenzoyl)acetate
CAS No: 1260808-42-1 Catalog No: AG01FC9I MDL No:
Product Description
Catalog Number:
AG01FC9I
Chemical Name:
Ethyl (4-chloro-3-fluorobenzoyl)acetate
CAS Number:
1260808-42-1
Molecular Formula:
C11H10ClFO3
Molecular Weight:
244.6467
IUPAC Name:
ethyl 3-(4-chloro-3-fluorophenyl)-3-oxopropanoate
InChI:
InChI=1S/C11H10ClFO3/c1-2-16-11(15)6-10(14)7-3-4-8(12)9(13)5-7/h3-5H,2,6H2,1H3
InChI Key:
RWDICAQJHOYPIZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1ccc(c(c1)F)Cl
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.646g/mol
Monoisotopic Mass:
244.03g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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