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Home > Fluorides > 155056-55-6
155056-55-6 | Benzene, 1-(octyloxy)-2-(trifluoromethyl)-
CAS No: 155056-55-6 Catalog No: AG001NKN MDL No:
Product Description
Catalog Number:
AG001NKN
Chemical Name:
Benzene, 1-(octyloxy)-2-(trifluoromethyl)-
CAS Number:
155056-55-6
Molecular Formula:
C15H21F3O
Molecular Weight:
274.3218
IUPAC Name:
1-octoxy-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C15H21F3O/c1-2-3-4-5-6-9-12-19-14-11-8-7-10-13(14)15(16,17)18/h7-8,10-11H,2-6,9,12H2,1H3
InChI Key:
KERRBVYEVFOYRC-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccccc1C(F)(F)F
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.154g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.327g/mol
Monoisotopic Mass:
274.154g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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