Boronic acid, benzo[b]thien-2-yl-


Chemical Name: Boronic acid, benzo[b]thien-2-yl-
CAS Number: 98437-23-1
Product Number: AG003GKS(AGN-PC-0JK67M)
Synonyms:
MDL No: MFCD01075674
Molecular Formula: C8H7BO2S
Molecular Weight: 178.0160

Identification/Properties


Properties
MP:
254-256 °C
BP:
390.2 °C at 760 mmHg
Storage:
-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
178.012g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
178.026g/mol
Monoisotopic Mass:
178.026g/mol
Topological Polar Surface Area:
68.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
165
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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