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Home > Fluorides > 890099-26-0
890099-26-0 | 3-ACETOXY-2',3',4',5',6'-PENTAFLUOROBENZOPHENONE
CAS No: 890099-26-0 Catalog No: AG0044R4 MDL No:
Product Description
Catalog Number:
AG0044R4
Chemical Name:
3-ACETOXY-2',3',4',5',6'-PENTAFLUOROBENZOPHENONE
CAS Number:
890099-26-0
Molecular Formula:
C15H7F5O3
Molecular Weight:
330.2063
IUPAC Name:
[3-(2,3,4,5,6-pentafluorobenzoyl)phenyl] acetate
InChI:
InChI=1S/C15H7F5O3/c1-6(21)23-8-4-2-3-7(5-8)15(22)9-10(16)12(18)14(20)13(19)11(9)17/h2-5H,1H3
InChI Key:
MIPXQKTWTQXBKD-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cccc(c1)C(=O)c1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.032g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.21g/mol
Monoisotopic Mass:
330.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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