5-Bromo-4-fluoro-2,3-dihydro-1H-inden-1-one


Chemical Name: 5-Bromo-4-fluoro-2,3-dihydro-1H-inden-1-one
CAS Number: 127425-74-5
Product Number: AG000X2T(AGN-PC-0WAMA1)
Synonyms:
MDL No: MFCD18208171
Molecular Formula: C9H6BrFO
Molecular Weight: 229.0457

Identification/Properties


Computed Properties
Molecular Weight:
229.048g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
227.959g/mol
Monoisotopic Mass:
227.959g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
207
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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