2-Hexanone, 6-bromo-


Chemical Name: 2-Hexanone, 6-bromo-
CAS Number: 10226-29-6
Product Number: AG00072I(AGN-PC-0C61WL)
Synonyms:
MDL No:
Molecular Formula: C6H11BrO
Molecular Weight: 179.0549

Identification/Properties


Computed Properties
Molecular Weight:
179.057g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
4
Exact Mass:
177.999g/mol
Monoisotopic Mass:
177.999g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
70.9
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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