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1096336-29-6 | 2-n-Butoxy-5-fluorobenzyl alcohol
CAS No: 1096336-29-6 Catalog No: AG01FEAQ MDL No:
Product Description
Catalog Number:
AG01FEAQ
Chemical Name:
2-n-Butoxy-5-fluorobenzyl alcohol
CAS Number:
1096336-29-6
Molecular Formula:
C11H15FO2
Molecular Weight:
198.2340
IUPAC Name:
(2-butoxy-5-fluorophenyl)methanol
InChI:
InChI=1S/C11H15FO2/c1-2-3-6-14-11-5-4-10(12)7-9(11)8-13/h4-5,7,13H,2-3,6,8H2,1H3
InChI Key:
QBUXFQBQGVCCQZ-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1CO)F
Properties
Complexity:
152
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:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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