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139478-58-3 | 2-Butanol, 1-[3-(trifluoromethyl)phenoxy]-
CAS No: 139478-58-3 Catalog No: AG001B32 MDL No:
Product Description
Catalog Number:
AG001B32
Chemical Name:
2-Butanol, 1-[3-(trifluoromethyl)phenoxy]-
CAS Number:
139478-58-3
Molecular Formula:
C11H13F3O2
Molecular Weight:
234.2149
IUPAC Name:
1-[3-(trifluoromethyl)phenoxy]butan-2-ol
InChI:
InChI=1S/C11H13F3O2/c1-2-9(15)7-16-10-5-3-4-8(6-10)11(12,13)14/h3-6,9,15H,2,7H2,1H3
InChI Key:
LKDLJNRBLNAIDF-UHFFFAOYSA-N
SMILES:
CCC(COc1cccc(c1)C(F)(F)F)O
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.218g/mol
Monoisotopic Mass:
234.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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