(6-bromo-3-fluoro-2-methoxyphenyl)boronic acid


Chemical Name: (6-bromo-3-fluoro-2-methoxyphenyl)boronic acid
CAS Number: 957035-08-4
Product Number: AG00IJD9(AGN-PC-078TF3)
Synonyms:
MDL No:
Molecular Formula: C7H7BBrFO3
Molecular Weight: 248.8421

Identification/Properties


Computed Properties
Molecular Weight:
248.842g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
247.966g/mol
Monoisotopic Mass:
247.966g/mol
Topological Polar Surface Area:
49.7A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
172
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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