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1443328-04-8 | 4-n-Butoxy-3-fluorophenethyl alcohol
CAS No: 1443328-04-8 Catalog No: AG01FDKN MDL No:
Product Description
Catalog Number:
AG01FDKN
Chemical Name:
4-n-Butoxy-3-fluorophenethyl alcohol
CAS Number:
1443328-04-8
Molecular Formula:
C12H17FO2
Molecular Weight:
212.2606
IUPAC Name:
2-(4-butoxy-3-fluorophenyl)ethanol
InChI:
InChI=1S/C12H17FO2/c1-2-3-8-15-12-5-4-10(6-7-14)9-11(12)13/h4-5,9,14H,2-3,6-8H2,1H3
InChI Key:
KQBJONKBLYAIHD-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1F)CCO
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.264g/mol
Monoisotopic Mass:
212.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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