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16184-89-7 | Ethanone, 1-(4-bromophenyl)-2,2,2-trifluoro-
CAS No: 16184-89-7 Catalog No: AG001VXS MDL No:MFCD00191862
Product Description
Catalog Number:
AG001VXS
Chemical Name:
Ethanone, 1-(4-bromophenyl)-2,2,2-trifluoro-
CAS Number:
16184-89-7
Molecular Formula:
C8H4BrF3O
Molecular Weight:
253.0160
MDL Number:
MFCD00191862
IUPAC Name:
1-(4-bromophenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C8H4BrF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H
InChI Key:
IHGSAQHSAGRWNI-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)c1ccc(cc1)Br
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.94g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.018g/mol
Monoisotopic Mass:
251.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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