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161809-64-9 | 2-Propanone, 3-(4-bromophenyl)-1,1,1-trifluoro-
CAS No: 161809-64-9 Catalog No: AG001VWL MDL No:MFCD03844192
Product Description
Catalog Number:
AG001VWL
Chemical Name:
2-Propanone, 3-(4-bromophenyl)-1,1,1-trifluoro-
CAS Number:
161809-64-9
Molecular Formula:
C9H6BrF3O
Molecular Weight:
267.0425
MDL Number:
MFCD03844192
IUPAC Name:
3-(4-bromophenyl)-1,1,1-trifluoropropan-2-one
InChI:
InChI=1S/C9H6BrF3O/c10-7-3-1-6(2-4-7)5-8(14)9(11,12)13/h1-4H,5H2
InChI Key:
NCMUNOOVWJTDOO-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)Cc1ccc(cc1)Br
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.955g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.045g/mol
Monoisotopic Mass:
265.955g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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