1h-Benzo[D]Imidazol-5-YlboronicAcid


Chemical Name: 1h-Benzo[D]Imidazol-5-YlboronicAcid
CAS Number: 1228183-22-9
Product Number: AG000JJE(AGN-PC-0O0HSP)
Synonyms:
MDL No:
Molecular Formula: C7H7BN2O2
Molecular Weight: 161.9537

Identification/Properties


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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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