3-(2-Bromoacetamido)phenylboronic acid, pinacol ester


Chemical Name: 3-(2-Bromoacetamido)phenylboronic acid, pinacol ester
CAS Number: 2096331-74-5
Product Number: AG01DUCX(AG01DUCX)
Synonyms:
MDL No:
Molecular Formula: C14H19BBrNO3
Molecular Weight: 340.0206

Identification/Properties


Computed Properties
Molecular Weight:
340.024g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
339.064g/mol
Monoisotopic Mass:
339.064g/mol
Topological Polar Surface Area:
47.6A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
359
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:
Danger
UN#:
2811
Hazard Statements:
H301-H311-H331-H341
Precautionary Statements:
P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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