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175205-89-7 | Ethanone, 2-bromo-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-
CAS No: 175205-89-7 Catalog No: AG0020PE MDL No:MFCD00221016
Product Description
Catalog Number:
AG0020PE
Chemical Name:
Ethanone, 2-bromo-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-
CAS Number:
175205-89-7
Molecular Formula:
C9H4BrCl2F3O
Molecular Weight:
335.9327
MDL Number:
MFCD00221016
IUPAC Name:
2-bromo-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanone
InChI:
InChI=1S/C9H4BrCl2F3O/c10-3-7(16)8-5(11)1-4(2-6(8)12)9(13,14)15/h1-2H,3H2
InChI Key:
MSMAFPRJZLLQNJ-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1c(Cl)cc(cc1Cl)C(F)(F)F
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.877g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.929g/mol
Monoisotopic Mass:
333.877g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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