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Home > Fluorides > 123598-40-3
123598-40-3 | Benzoic acid, 4-[[(2S)-2-fluorooctyl]oxy]-
CAS No: 123598-40-3 Catalog No: AG000KU2 MDL No:
Product Description
Catalog Number:
AG000KU2
Chemical Name:
Benzoic acid, 4-[[(2S)-2-fluorooctyl]oxy]-
CAS Number:
123598-40-3
Molecular Formula:
C15H21FO3
Molecular Weight:
268.3238
IUPAC Name:
4-(2-fluorooctoxy)benzoic acid
InChI:
InChI=1S/C15H21FO3/c1-2-3-4-5-6-13(16)11-19-14-9-7-12(8-10-14)15(17)18/h7-10,13H,2-6,11H2,1H3,(H,17,18)
InChI Key:
QLLONFPNPUFLOC-UHFFFAOYSA-N
SMILES:
CCCCCC[C@@H](COc1ccc(cc1)C(=O)O)F
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.328g/mol
Monoisotopic Mass:
268.147g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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