Benzene, 1-(4-bromobutoxy)-3-(trifluoromethyl)-


Chemical Name: Benzene, 1-(4-bromobutoxy)-3-(trifluoromethyl)-
CAS Number: 70743-66-7
Product Number: AG019W5G(AGN-PC-0NKHNB)
Synonyms:
MDL No:
Molecular Formula: C11H12BrF3O
Molecular Weight: 297.1116

Identification/Properties


Computed Properties
Molecular Weight:
297.115g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
296.002g/mol
Monoisotopic Mass:
296.002g/mol
Topological Polar Surface Area:
9.2A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
196
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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