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Home > Fluorides > 832087-82-8
832087-82-8 | Benzoic acid, 4-(4-ethoxy-4-oxobutoxy)-3-fluoro-, methyl ester
CAS No: 832087-82-8 Catalog No: AG004ZZ0 MDL No:
Product Description
Catalog Number:
AG004ZZ0
Chemical Name:
Benzoic acid, 4-(4-ethoxy-4-oxobutoxy)-3-fluoro-, methyl ester
CAS Number:
832087-82-8
Molecular Formula:
C14H17FO5
Molecular Weight:
284.2802
IUPAC Name:
methyl 4-(4-ethoxy-4-oxobutoxy)-3-fluorobenzoate
InChI:
InChI=1S/C14H17FO5/c1-3-19-13(16)5-4-8-20-12-7-6-10(9-11(12)15)14(17)18-2/h6-7,9H,3-5,8H2,1-2H3
InChI Key:
QNFSMWHPYGNDLJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCOc1ccc(cc1F)C(=O)OC
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.283g/mol
Monoisotopic Mass:
284.106g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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