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1443327-91-0 | 4-Fluoro-3-iso-pentoxyphenethyl alcohol
CAS No: 1443327-91-0 Catalog No: AG01FCE1 MDL No:
Product Description
Catalog Number:
AG01FCE1
Chemical Name:
4-Fluoro-3-iso-pentoxyphenethyl alcohol
CAS Number:
1443327-91-0
Molecular Formula:
C13H19FO2
Molecular Weight:
226.2872
IUPAC Name:
2-[4-fluoro-3-(3-methylbutoxy)phenyl]ethanol
InChI:
InChI=1S/C13H19FO2/c1-10(2)6-8-16-13-9-11(5-7-15)3-4-12(13)14/h3-4,9-10,15H,5-8H2,1-2H3
InChI Key:
WQAPGCJNVJKOCX-UHFFFAOYSA-N
SMILES:
OCCc1ccc(c(c1)OCCC(C)C)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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