2-Bromocycloheptanone


Chemical Name: 2-Bromocycloheptanone
CAS Number: 766-65-4
Product Number: AG003GRS(AGN-PC-0WAJPM)
Synonyms:
MDL No:
Molecular Formula: C7H11BrO
Molecular Weight: 191.0656

Identification/Properties


Computed Properties
Molecular Weight:
191.068g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
189.999g/mol
Monoisotopic Mass:
189.999g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
112
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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