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1443310-34-6 | Ethyl 4-fluoro-2-n-pentoxybenzoylformate
CAS No: 1443310-34-6 Catalog No: AG01FC16 MDL No:
Product Description
Catalog Number:
AG01FC16
Chemical Name:
Ethyl 4-fluoro-2-n-pentoxybenzoylformate
CAS Number:
1443310-34-6
Molecular Formula:
C15H19FO4
Molecular Weight:
282.3074
IUPAC Name:
ethyl 2-(4-fluoro-2-pentoxyphenyl)-2-oxoacetate
InChI:
InChI=1S/C15H19FO4/c1-3-5-6-9-20-13-10-11(16)7-8-12(13)14(17)15(18)19-4-2/h7-8,10H,3-6,9H2,1-2H3
InChI Key:
PAPLWKYPWZJRQK-UHFFFAOYSA-N
SMILES:
CCCCCOc1cc(F)ccc1C(=O)C(=O)OCC
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.311g/mol
Monoisotopic Mass:
282.127g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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