6-Benzothiazolecarboxylic acid, methyl ester


Chemical Name: 6-Benzothiazolecarboxylic acid, methyl ester
CAS Number: 73931-63-2
Product Number: AG005IX5(AGN-PC-0JTHYY)
Synonyms:
MDL No:
Molecular Formula: C9H7NO2S
Molecular Weight: 193.2224

Identification/Properties


Properties
MP:
106-107℃
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
193.22g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
193.02g/mol
Monoisotopic Mass:
193.02g/mol
Topological Polar Surface Area:
67.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
210
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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