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1443327-62-5 | 5-Fluoro-2-iso-pentoxyphenethyl alcohol
CAS No: 1443327-62-5 Catalog No: AG01FCE0 MDL No:
Product Description
Catalog Number:
AG01FCE0
Chemical Name:
5-Fluoro-2-iso-pentoxyphenethyl alcohol
CAS Number:
1443327-62-5
Molecular Formula:
C13H19FO2
Molecular Weight:
226.2872
IUPAC Name:
2-[5-fluoro-2-(3-methylbutoxy)phenyl]ethanol
InChI:
InChI=1S/C13H19FO2/c1-10(2)6-8-16-13-4-3-12(14)9-11(13)5-7-15/h3-4,9-10,15H,5-8H2,1-2H3
InChI Key:
FWVDAAINIBUERR-UHFFFAOYSA-N
SMILES:
OCCc1cc(F)ccc1OCCC(C)C
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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