Benzene, 1-bromo-3-(trifluoromethoxy)-


Chemical Name: Benzene, 1-bromo-3-(trifluoromethoxy)-
CAS Number: 2252-44-0
Product Number: AG006XP8(AGN-PC-0JS96T)
Synonyms:
MDL No:
Molecular Formula: C7H4BrF3O
Molecular Weight: 241.0053

Identification/Properties


Computed Properties
Molecular Weight:
241.007g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
239.94g/mol
Monoisotopic Mass:
239.94g/mol
Topological Polar Surface Area:
9.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
148
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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