2-(4-methoxyanilino)-1,3-thiazole-4-carboxylic acid;hydrobromide


Chemical Name: 2-(4-methoxyanilino)-1,3-thiazole-4-carboxylic acid;hydrobromide
CAS Number: 1134600-62-6
Product Number: AG0008NW(AGN-PC-04HB52)
Synonyms:
MDL No:
Molecular Formula: C11H11BrN2O3S
Molecular Weight: 331.1856

Identification/Properties


Computed Properties
Molecular Weight:
331.184g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
329.967g/mol
Monoisotopic Mass:
329.967g/mol
Topological Polar Surface Area:
99.7A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
269
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:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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