Benzo[b]thiophene-2-carboxylic acid, 6-bromo-


Chemical Name: Benzo[b]thiophene-2-carboxylic acid, 6-bromo-
CAS Number: 19075-58-2
Product Number: AG002ERT(AGN-PC-00N3U7)
Synonyms:
MDL No:
Molecular Formula: C9H5BrO2S
Molecular Weight: 257.1038

Identification/Properties


Properties
MP:
262-265 °C
BP:
429.662°C at 760 mmHg
Storage:
Keep in dry area;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
257.101g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
255.919g/mol
Monoisotopic Mass:
255.919g/mol
Topological Polar Surface Area:
65.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
222
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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