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1443328-03-7 | 5-Fluoro-3-iso-pentoxyphenethyl alcohol
CAS No: 1443328-03-7 Catalog No: AG01FCE2 MDL No:
Product Description
Catalog Number:
AG01FCE2
Chemical Name:
5-Fluoro-3-iso-pentoxyphenethyl alcohol
CAS Number:
1443328-03-7
Molecular Formula:
C13H19FO2
Molecular Weight:
226.2872
IUPAC Name:
2-[3-fluoro-5-(3-methylbutoxy)phenyl]ethanol
InChI:
InChI=1S/C13H19FO2/c1-10(2)4-6-16-13-8-11(3-5-15)7-12(14)9-13/h7-10,15H,3-6H2,1-2H3
InChI Key:
IYVBOERSVHXNHG-UHFFFAOYSA-N
SMILES:
OCCc1cc(OCCC(C)C)cc(c1)F
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.291g/mol
Monoisotopic Mass:
226.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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