4-​bromopentane-​2,​3-​dione


Chemical Name: 4-​bromopentane-​2,​3-​dione
CAS Number: 21619-25-0
Product Number: AG0033YM(AGN-PC-0WAFOF)
Synonyms:
MDL No:
Molecular Formula: C5H7BrO2
Molecular Weight: 179.0119

Identification/Properties


Computed Properties
Molecular Weight:
179.013g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
177.963g/mol
Monoisotopic Mass:
177.963g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
120
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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