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131805-94-2 | Ethanone, 1-[3,5-bis(trifluoromethyl)phenyl]-2-bromo-
CAS No: 131805-94-2 Catalog No: AG000ZRE MDL No:MFCD00792434
Product Description
Catalog Number:
AG000ZRE
Chemical Name:
Ethanone, 1-[3,5-bis(trifluoromethyl)phenyl]-2-bromo-
CAS Number:
131805-94-2
Molecular Formula:
C10H5BrF6O
Molecular Weight:
335.0405
MDL Number:
MFCD00792434
IUPAC Name:
1-[3,5-bis(trifluoromethyl)phenyl]-2-bromoethanone
InChI:
InChI=1S/C10H5BrF6O/c11-4-8(18)5-1-6(9(12,13)14)3-7(2-5)10(15,16)17/h1-3H,4H2
InChI Key:
ZEKBFXJTIAEUOF-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.943g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.043g/mol
Monoisotopic Mass:
333.943g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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