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1443336-18-2 | 3-iso-Butoxy-4-fluorophenethyl alcohol
CAS No: 1443336-18-2 Catalog No: AG01FCRC MDL No:
Product Description
Catalog Number:
AG01FCRC
Chemical Name:
3-iso-Butoxy-4-fluorophenethyl alcohol
CAS Number:
1443336-18-2
Molecular Formula:
C12H17FO2
Molecular Weight:
212.2606
IUPAC Name:
2-[4-fluoro-3-(2-methylpropoxy)phenyl]ethanol
InChI:
InChI=1S/C12H17FO2/c1-9(2)8-15-12-7-10(5-6-14)3-4-11(12)13/h3-4,7,9,14H,5-6,8H2,1-2H3
InChI Key:
PAMJWLXNHYOPEX-UHFFFAOYSA-N
SMILES:
OCCc1ccc(c(c1)OCC(C)C)F
Properties
Complexity:
173
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:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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