Benzoic acid,5-borono-2-chloro-, 1-ethyl ester


Chemical Name: Benzoic acid,5-borono-2-chloro-, 1-ethyl ester
CAS Number: 874219-46-2
Product Number: AG004MXY(AGN-PC-0VDGK1)
Synonyms:
MDL No:
Molecular Formula: C9H10BClO4
Molecular Weight: 228.4373

Identification/Properties


Properties
MP:
162-164°C
BP:
392.5°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
228.435g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
228.036g/mol
Monoisotopic Mass:
228.036g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
224
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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