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Home > Bromides > 1588441-04-6
1588441-04-6 | Ethanone, 1-[2-bromo-3-(trifluoromethoxy)phenyl]-
CAS No: 1588441-04-6 Catalog No: AG001QY1 MDL No:
Product Description
Catalog Number:
AG001QY1
Chemical Name:
Ethanone, 1-[2-bromo-3-(trifluoromethoxy)phenyl]-
CAS Number:
1588441-04-6
Molecular Formula:
C9H6BrF3O2
Molecular Weight:
283.0419
IUPAC Name:
1-[2-bromo-3-(trifluoromethoxy)phenyl]ethanone
InChI:
InChI=1S/C9H6BrF3O2/c1-5(14)6-3-2-4-7(8(6)10)15-9(11,12)13/h2-4H,1H3
InChI Key:
VMJGIKMRJDKJMA-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc(c1Br)OC(F)(F)F
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.95g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.044g/mol
Monoisotopic Mass:
281.95g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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