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Home > Fluorides > 1443353-30-7
1443353-30-7 | 3'-iso-Pentoxy-2,2,2-trifluoroacetophenone
CAS No: 1443353-30-7 Catalog No: AG01FBCX MDL No:
Product Description
Catalog Number:
AG01FBCX
Chemical Name:
3'-iso-Pentoxy-2,2,2-trifluoroacetophenone
CAS Number:
1443353-30-7
Molecular Formula:
C13H15F3O2
Molecular Weight:
260.2522
IUPAC Name:
2,2,2-trifluoro-1-[3-(3-methylbutoxy)phenyl]ethanone
InChI:
InChI=1S/C13H15F3O2/c1-9(2)6-7-18-11-5-3-4-10(8-11)12(17)13(14,15)16/h3-5,8-9H,6-7H2,1-2H3
InChI Key:
NCRCOZWRBUBVSB-UHFFFAOYSA-N
SMILES:
CC(CCOc1cccc(c1)C(=O)C(F)(F)F)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.102g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.256g/mol
Monoisotopic Mass:
260.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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