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898760-83-3 | 3-(3-Bromophenyl)-3',4',5'-trifluoropropiophenone
CAS No: 898760-83-3 Catalog No: AG01EYUE MDL No:
Product Description
Catalog Number:
AG01EYUE
Chemical Name:
3-(3-Bromophenyl)-3',4',5'-trifluoropropiophenone
CAS Number:
898760-83-3
Molecular Formula:
C15H10BrF3O
Molecular Weight:
343.1385
IUPAC Name:
3-(3-bromophenyl)-1-(3,4,5-trifluorophenyl)propan-1-one
InChI:
InChI=1S/C15H10BrF3O/c16-11-3-1-2-9(6-11)4-5-14(20)10-7-12(17)15(19)13(18)8-10/h1-3,6-8H,4-5H2
InChI Key:
KOACLFHPFYUJBO-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)CCC(=O)c1cc(F)c(c(c1)F)F
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.987g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.143g/mol
Monoisotopic Mass:
341.987g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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