6-Benzothiazolecarboxylic acid


Chemical Name: 6-Benzothiazolecarboxylic acid
CAS Number: 3622-35-3
Product Number: AG0034I2(AGN-PC-0JTLON)
Synonyms:
MDL No:
Molecular Formula: C8H5NO2S
Molecular Weight: 179.1958

Identification/Properties


Properties
MP:
245-251 °C(lit.)
BP:
387.7°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
179.193g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
179.004g/mol
Monoisotopic Mass:
179.004g/mol
Topological Polar Surface Area:
78.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
198
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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