2,2,2-trichloroethyl 2-bromo-2-(3,4-dimethoxyphenyl)acetate


Chemical Name: 2,2,2-trichloroethyl 2-bromo-2-(3,4-dimethoxyphenyl)acetate
CAS Number: 322765-94-6
Product Number: AG019ETK(AG019ETK)
Synonyms:
MDL No:
Molecular Formula: C12H12BrCl3O4
Molecular Weight: 406.4843

Identification/Properties


Computed Properties
Molecular Weight:
406.478g/mol
XLogP3:
4.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
403.898g/mol
Monoisotopic Mass:
403.898g/mol
Topological Polar Surface Area:
44.8A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
324
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

Safety Information


NMR Spectrum


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