[3-bromo-2-[(3-bromophenyl)methoxy]-5-methylphenyl]boronic acid


Chemical Name: [3-bromo-2-[(3-bromophenyl)methoxy]-5-methylphenyl]boronic acid
CAS Number: 849052-16-0
Product Number: AG003BR1(AGN-PC-00UQKI)
Synonyms:
MDL No:
Molecular Formula: C14H13BBr2O3
Molecular Weight: 399.8702

Identification/Properties


Properties
MP:
109-113°C(lit.);
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
399.873g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
399.93g/mol
Monoisotopic Mass:
397.932g/mol
Topological Polar Surface Area:
49.7A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
306
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#:
-
Hazard Statements:
H315-H319-H335-H413
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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