2,1-Benzoxaborole, 1,3-dihydro-1-hydroxy-6-nitro-


Chemical Name: 2,1-Benzoxaborole, 1,3-dihydro-1-hydroxy-6-nitro-
CAS Number: 118803-40-0
Product Number: AG008REX(AGN-PC-0L0FTQ)
Synonyms:
MDL No:
Molecular Formula: C7H6BNO4
Molecular Weight: 178.9378

Identification/Properties


Computed Properties
Molecular Weight:
178.938g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
179.039g/mol
Monoisotopic Mass:
179.039g/mol
Topological Polar Surface Area:
75.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
219
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
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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