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Home > Fluorides > 128895-76-1
128895-76-1 | Benzoic acid, 2-fluoro-4-(octyloxy)-
CAS No: 128895-76-1 Catalog No: AG000YG9 MDL No:
Product Description
Catalog Number:
AG000YG9
Chemical Name:
Benzoic acid, 2-fluoro-4-(octyloxy)-
CAS Number:
128895-76-1
Molecular Formula:
C15H21FO3
Molecular Weight:
268.3238
IUPAC Name:
2-fluoro-4-octoxybenzoic acid
InChI:
InChI=1S/C15H21FO3/c1-2-3-4-5-6-7-10-19-12-8-9-13(15(17)18)14(16)11-12/h8-9,11H,2-7,10H2,1H3,(H,17,18)
InChI Key:
AWPDESKDPDUKRX-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(c(c1)F)C(=O)O
Properties
Complexity:
258
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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