Benzoic acid, 4-borono-3-nitro-, 1-ethyl ester


Chemical Name: Benzoic acid, 4-borono-3-nitro-, 1-ethyl ester
CAS Number: 5785-70-6
Product Number: AG00IAAP(AGN-PC-0KKVET)
Synonyms:
MDL No:
Molecular Formula: C9H10BNO6
Molecular Weight: 238.9898

Identification/Properties


Properties
MP:
116-118℃
BP:
445.3°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
238.99g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
239.06g/mol
Monoisotopic Mass:
239.06g/mol
Topological Polar Surface Area:
113A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
292
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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