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Home > Bromides > 1190865-42-9
1190865-42-9 | Ethanone, 1-(3,5-dibromophenyl)-2,2,2-trifluoro-
CAS No: 1190865-42-9 Catalog No: AG000I52 MDL No:
Product Description
Catalog Number:
AG000I52
Chemical Name:
Ethanone, 1-(3,5-dibromophenyl)-2,2,2-trifluoro-
CAS Number:
1190865-42-9
Molecular Formula:
C8H3Br2F3O
Molecular Weight:
331.9120
IUPAC Name:
1-(3,5-dibromophenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C8H3Br2F3O/c9-5-1-4(2-6(10)3-5)7(14)8(11,12)13/h1-3H
InChI Key:
ZNBTWCALOYMPHK-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)c1cc(Br)cc(c1)Br
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.848g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.914g/mol
Monoisotopic Mass:
329.85g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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