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1594605-40-9 | Ethanone, 1-(4-bromo-5-chloro-2-fluorophenyl)-
CAS No: 1594605-40-9 Catalog No: AG001R3J MDL No:
Product Description
Catalog Number:
AG001R3J
Chemical Name:
Ethanone, 1-(4-bromo-5-chloro-2-fluorophenyl)-
CAS Number:
1594605-40-9
Molecular Formula:
C8H5BrClFO
Molecular Weight:
251.4801
IUPAC Name:
1-(4-bromo-5-chloro-2-fluorophenyl)ethanone
InChI:
InChI=1S/C8H5BrClFO/c1-4(12)5-2-7(10)6(9)3-8(5)11/h2-3H,1H3
InChI Key:
UYZXJLRSUSUZHM-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(Cl)c(cc1F)Br
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.92g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.479g/mol
Monoisotopic Mass:
249.92g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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