2-Thiophenecarboxylic acid, 5-borono-, 2-methyl ester


Chemical Name: 2-Thiophenecarboxylic acid, 5-borono-, 2-methyl ester
CAS Number: 876189-21-8
Product Number: AG003MU9(AGN-PC-00CF6T)
Synonyms:
MDL No:
Molecular Formula: C6H7BO4S
Molecular Weight: 185.9934

Identification/Properties


Properties
BP:
386.725 °C at 760 mmHg
Storage:
-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
185.988g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
186.016g/mol
Monoisotopic Mass:
186.016g/mol
Topological Polar Surface Area:
95A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
175
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:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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