6-Benzothiazolecarboxylic acid, 2-chloro-


Chemical Name: 6-Benzothiazolecarboxylic acid, 2-chloro-
CAS Number: 3855-95-6
Product Number: AG0037K0(AGN-PC-01X87Z)
Synonyms:
MDL No:
Molecular Formula: C8H4ClNO2S
Molecular Weight: 213.6409

Identification/Properties


Properties
MP:
220-221°C
BP:
398.2°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
213.635g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
212.965g/mol
Monoisotopic Mass:
212.965g/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#:
N/A
Hazard Statements:
H302-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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