methyl 2-bromo-4-(trifluoromethyl)benzoate


Chemical Name: methyl 2-bromo-4-(trifluoromethyl)benzoate
CAS Number: 1214334-90-3
Product Number: AG0014SU(AGN-PC-07QVAQ)
Synonyms:
MDL No:
Molecular Formula: C9H6BrF3O2
Molecular Weight: 283.0419

Identification/Properties


Computed Properties
Molecular Weight:
283.044g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
281.95g/mol
Monoisotopic Mass:
281.95g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
242
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

Safety Information


NMR Spectrum


Other Analytical Data


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