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Home > Fluorides > 1443313-27-6
1443313-27-6 | 4'-iso-Butyl-2,2,3,3,3-pentafluoropropiophenone
CAS No: 1443313-27-6 Catalog No: AG01F9VE MDL No:
Product Description
Catalog Number:
AG01F9VE
Chemical Name:
4'-iso-Butyl-2,2,3,3,3-pentafluoropropiophenone
CAS Number:
1443313-27-6
Molecular Formula:
C13H13F5O
Molecular Weight:
280.2337
IUPAC Name:
2,2,3,3,3-pentafluoro-1-[4-(2-methylpropyl)phenyl]propan-1-one
InChI:
InChI=1S/C13H13F5O/c1-8(2)7-9-3-5-10(6-4-9)11(19)12(14,15)13(16,17)18/h3-6,8H,7H2,1-2H3
InChI Key:
VVRNMPRFCYGZDH-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(cc1)C(=O)C(C(F)(F)F)(F)F)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.089g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.238g/mol
Monoisotopic Mass:
280.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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