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Home > Bromides > 1261439-45-5
1261439-45-5 | 1-Propanone, 1-[5-bromo-2-(trifluoromethoxy)phenyl]-
CAS No: 1261439-45-5 Catalog No: AG000RRK MDL No:MFCD18392374
Product Description
Catalog Number:
AG000RRK
Chemical Name:
1-Propanone, 1-[5-bromo-2-(trifluoromethoxy)phenyl]-
CAS Number:
1261439-45-5
Molecular Formula:
C10H8BrF3O2
Molecular Weight:
297.0685
MDL Number:
MFCD18392374
IUPAC Name:
1-[5-bromo-2-(trifluoromethoxy)phenyl]propan-1-one
InChI:
InChI=1S/C10H8BrF3O2/c1-2-8(15)7-5-6(11)3-4-9(7)16-10(12,13)14/h3-5H,2H2,1H3
InChI Key:
XBWOEZQMXBRJDF-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cc(Br)ccc1OC(F)(F)F
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.966g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.071g/mol
Monoisotopic Mass:
295.966g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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