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89100-55-0 | Benzoic acid, 4-fluoro-, 4-[(1-oxohexyl)oxy]phenyl ester
CAS No: 89100-55-0 Catalog No: AG003ZME MDL No:
Product Description
Catalog Number:
AG003ZME
Chemical Name:
Benzoic acid, 4-fluoro-, 4-[(1-oxohexyl)oxy]phenyl ester
CAS Number:
89100-55-0
Molecular Formula:
C19H19FO4
Molecular Weight:
330.3502
IUPAC Name:
(4-hexanoyloxyphenyl) 4-fluorobenzoate
InChI:
InChI=1S/C19H19FO4/c1-2-3-4-5-18(21)23-16-10-12-17(13-11-16)24-19(22)14-6-8-15(20)9-7-14/h6-13H,2-5H2,1H3
InChI Key:
ZZLFNSWOIUJEEY-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)Oc1ccc(cc1)OC(=O)c1ccc(cc1)F
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.127g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.355g/mol
Monoisotopic Mass:
330.127g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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