1H-PYRROLO[2,3-B]PYRIDIN-5-YLBORONIC ACID


Chemical Name: 1H-PYRROLO[2,3-B]PYRIDIN-5-YLBORONIC ACID
CAS Number: 944059-24-9
Product Number: AG00H7KP(AGN-PC-07CN52)
Synonyms:
MDL No:
Molecular Formula: C7H7BN2O2
Molecular Weight: 161.9537

Identification/Properties


Properties
BP:
460.0±48.0°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
161.955g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
162.06g/mol
Monoisotopic Mass:
162.06g/mol
Topological Polar Surface Area:
69.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
168
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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