Boronicacid, B-[2-bromo-5-(trifluoromethyl)phenyl]-


Chemical Name: Boronicacid, B-[2-bromo-5-(trifluoromethyl)phenyl]-
CAS Number: 957034-38-7
Product Number: AG00IJD0(AGN-PC-078TD3)
Synonyms:
MDL No:
Molecular Formula: C7H5BBrF3O2
Molecular Weight: 268.8236

Identification/Properties


Computed Properties
Molecular Weight:
268.824g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
267.952g/mol
Monoisotopic Mass:
267.952g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
200
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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