methyl 5-bromo-2-(difluoromethoxy)benzoate


Chemical Name: methyl 5-bromo-2-(difluoromethoxy)benzoate
CAS Number: 1131587-78-4
Product Number: AG00940I(AGN-PC-079S1K)
Synonyms:
MDL No:
Molecular Formula: C9H7BrF2O3
Molecular Weight: 281.0509

Identification/Properties


Computed Properties
Molecular Weight:
281.053g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
279.955g/mol
Monoisotopic Mass:
279.955g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
225
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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