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Home > Fluorides > 845823-14-5
845823-14-5 | 2'-iso-Propyl-2,2,2-trifluoroacetophenone
CAS No: 845823-14-5 Catalog No: AG01EXQI MDL No:MFCD01319977
Product Description
Catalog Number:
AG01EXQI
Chemical Name:
2'-iso-Propyl-2,2,2-trifluoroacetophenone
CAS Number:
845823-14-5
Molecular Formula:
C11H11F3O
Molecular Weight:
216.1996
MDL Number:
MFCD01319977
IUPAC Name:
2,2,2-trifluoro-1-(2-propan-2-ylphenyl)ethanone
InChI:
InChI=1S/C11H11F3O/c1-7(2)8-5-3-4-6-9(8)10(15)11(12,13)14/h3-7H,1-2H3
InChI Key:
NSOWLQXBTNMKCN-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)c1ccccc1C(C)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.076g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.203g/mol
Monoisotopic Mass:
216.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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