methyl 6-bromo-1,3-benzothiazole-2-carboxylate


Chemical Name: methyl 6-bromo-1,3-benzothiazole-2-carboxylate
CAS Number: 1187928-41-1
Product Number: AG0080X0(AGN-PC-09RRSC)
Synonyms:
MDL No:
Molecular Formula: C9H6BrNO2S
Molecular Weight: 272.1184

Identification/Properties


Computed Properties
Molecular Weight:
272.116g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
270.93g/mol
Monoisotopic Mass:
270.93g/mol
Topological Polar Surface Area:
67.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
239
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


NMR Spectrum


Other Analytical Data


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