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1039931-95-7 | 4-iso-Butoxy-3-fluorobenzyl alcohol
CAS No: 1039931-95-7 Catalog No: AG01FDP5 MDL No:
Product Description
Catalog Number:
AG01FDP5
Chemical Name:
4-iso-Butoxy-3-fluorobenzyl alcohol
CAS Number:
1039931-95-7
Molecular Formula:
C11H15FO2
Molecular Weight:
198.2340
IUPAC Name:
[3-fluoro-4-(2-methylpropoxy)phenyl]methanol
InChI:
InChI=1S/C11H15FO2/c1-8(2)7-14-11-4-3-9(6-13)5-10(11)12/h3-5,8,13H,6-7H2,1-2H3
InChI Key:
HIRFZHHGEWLEOT-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1)F)OCC(C)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.237g/mol
Monoisotopic Mass:
198.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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