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157359-99-4 | Ethanone, 2-bromo-1-(2-chloro-6-fluorophenyl)-
CAS No: 157359-99-4 Catalog No: AG001PFC MDL No:MFCD07368692
Product Description
Catalog Number:
AG001PFC
Chemical Name:
Ethanone, 2-bromo-1-(2-chloro-6-fluorophenyl)-
CAS Number:
157359-99-4
Molecular Formula:
C8H5BrClFO
Molecular Weight:
251.4801
MDL Number:
MFCD07368692
IUPAC Name:
2-bromo-1-(2-chloro-6-fluorophenyl)ethanone
InChI:
InChI=1S/C8H5BrClFO/c9-4-7(12)8-5(10)2-1-3-6(8)11/h1-3H,4H2
InChI Key:
UQVVURJTXQEOES-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1c(F)cccc1Cl
Properties
Complexity:
176
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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