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Home > Fluorides > 147596-66-5
147596-66-5 | Benzoic acid, 3-fluoro-4-hydroxy-, (1R)-1-methylheptyl ester
CAS No: 147596-66-5 Catalog No: AG001F0D MDL No:
Product Description
Catalog Number:
AG001F0D
Chemical Name:
Benzoic acid, 3-fluoro-4-hydroxy-, (1R)-1-methylheptyl ester
CAS Number:
147596-66-5
Molecular Formula:
C15H21FO3
Molecular Weight:
268.3238
IUPAC Name:
octan-2-yl 3-fluoro-4-hydroxybenzoate
InChI:
InChI=1S/C15H21FO3/c1-3-4-5-6-7-11(2)19-15(18)12-8-9-14(17)13(16)10-12/h8-11,17H,3-7H2,1-2H3
InChI Key:
VHLJDEDJHXOKTB-UHFFFAOYSA-N
SMILES:
CCCCCC[C@H](OC(=O)c1ccc(c(c1)F)O)C
Properties
Complexity:
270
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:
8
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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