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Home > Fluorides > 951888-54-3
951888-54-3 | 4-tert-Butyl-3',4',5'-trifluorobenzophenone
CAS No: 951888-54-3 Catalog No: AG01EZSC MDL No:
Product Description
Catalog Number:
AG01EZSC
Chemical Name:
4-tert-Butyl-3',4',5'-trifluorobenzophenone
CAS Number:
951888-54-3
Molecular Formula:
C17H15F3O
Molecular Weight:
292.2956
IUPAC Name:
(4-tert-butylphenyl)-(3,4,5-trifluorophenyl)methanone
InChI:
InChI=1S/C17H15F3O/c1-17(2,3)12-6-4-10(5-7-12)16(21)11-8-13(18)15(20)14(19)9-11/h4-9H,1-3H3
InChI Key:
FMHSSWRKFUEMHN-UHFFFAOYSA-N
SMILES:
O=C(c1cc(F)c(c(c1)F)F)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.107g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.301g/mol
Monoisotopic Mass:
292.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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