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1443310-20-0 | 3-iso-Butoxy-5-fluorophenethyl alcohol
CAS No: 1443310-20-0 Catalog No: AG01FCQJ MDL No:
Product Description
Catalog Number:
AG01FCQJ
Chemical Name:
3-iso-Butoxy-5-fluorophenethyl alcohol
CAS Number:
1443310-20-0
Molecular Formula:
C12H17FO2
Molecular Weight:
212.2606
IUPAC Name:
2-[3-fluoro-5-(2-methylpropoxy)phenyl]ethanol
InChI:
InChI=1S/C12H17FO2/c1-9(2)8-15-12-6-10(3-4-14)5-11(13)7-12/h5-7,9,14H,3-4,8H2,1-2H3
InChI Key:
NZHAWHKKGARSMW-UHFFFAOYSA-N
SMILES:
OCCc1cc(OCC(C)C)cc(c1)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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