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Home > Fluorides > 128895-74-9
128895-74-9 | Benzoic acid, 4-decyl-3-fluoro-
CAS No: 128895-74-9 Catalog No: AG000YGA MDL No:
Product Description
Catalog Number:
AG000YGA
Chemical Name:
Benzoic acid, 4-decyl-3-fluoro-
CAS Number:
128895-74-9
Molecular Formula:
C17H25FO2
Molecular Weight:
280.3776
IUPAC Name:
4-decyl-3-fluorobenzoic acid
InChI:
InChI=1S/C17H25FO2/c1-2-3-4-5-6-7-8-9-10-14-11-12-15(17(19)20)13-16(14)18/h11-13H,2-10H2,1H3,(H,19,20)
InChI Key:
BXEKFNORSALBOC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCc1ccc(cc1F)C(=O)O
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.184g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.383g/mol
Monoisotopic Mass:
280.184g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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