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Home > Fluorides > 890100-39-7
890100-39-7 | 4-ACETOXY-3',4',5'-TRIFLUOROBENZOPHENONE
CAS No: 890100-39-7 Catalog No: AG0044NN MDL No:
Product Description
Catalog Number:
AG0044NN
Chemical Name:
4-ACETOXY-3',4',5'-TRIFLUOROBENZOPHENONE
CAS Number:
890100-39-7
Molecular Formula:
C15H9F3O3
Molecular Weight:
294.2254
IUPAC Name:
[4-(3,4,5-trifluorobenzoyl)phenyl] acetate
InChI:
InChI=1S/C15H9F3O3/c1-8(19)21-11-4-2-9(3-5-11)15(20)10-6-12(16)14(18)13(17)7-10/h2-7H,1H3
InChI Key:
ZOBYKIYSQJJGFV-UHFFFAOYSA-N
SMILES:
O=C(c1cc(F)c(c(c1)F)F)c1ccc(cc1)OC(=O)C
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.05g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.229g/mol
Monoisotopic Mass:
294.05g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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