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


Chemical Name: Benzoic acid, 2-borono-, 1-ethyl ester
CAS Number: 380430-53-5
Product Number: AG00BYGK(AGN-PC-0KKVEV)
Synonyms:
MDL No:
Molecular Formula: C9H11BO4
Molecular Weight: 193.9922

Identification/Properties


Properties
MP:
137 °C
BP:
367.5°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
193.993g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
194.075g/mol
Monoisotopic Mass:
194.075g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
195
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#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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