2-Benzothiazolecarboxylic acid, 4-fluoro-


Chemical Name: 2-Benzothiazolecarboxylic acid, 4-fluoro-
CAS Number: 479028-70-1
Product Number: AG00DBRN(AGN-PC-07A96N)
Synonyms:
MDL No:
Molecular Formula: C8H4FNO2S
Molecular Weight: 197.1863

Identification/Properties


Properties
BP:
382.5°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
197.183g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
196.995g/mol
Monoisotopic Mass:
196.995g/mol
Topological Polar Surface Area:
78.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
226
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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