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886502-80-3 | 2'-Bromo-6'-chloro-2,2,2-trifluoroacetophenone
CAS No: 886502-80-3 Catalog No: AG01EYFA MDL No:MFCD08062425
Product Description
Catalog Number:
AG01EYFA
Chemical Name:
2'-Bromo-6'-chloro-2,2,2-trifluoroacetophenone
CAS Number:
886502-80-3
Molecular Formula:
C8H3BrClF3O
Molecular Weight:
287.4610
MDL Number:
MFCD08062425
IUPAC Name:
1-(2-bromo-6-chlorophenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C8H3BrClF3O/c9-4-2-1-3-5(10)6(4)7(14)8(11,12)13/h1-3H
InChI Key:
XUDVGQSZJCOUMM-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1C(=O)C(F)(F)F)Br
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.901g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.46g/mol
Monoisotopic Mass:
285.901g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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