methyl 2-amino-5-(4-bromophenyl)-1,3-thiazole-4-carboxylate


Chemical Name: methyl 2-amino-5-(4-bromophenyl)-1,3-thiazole-4-carboxylate
CAS Number: 1072944-52-5
Product Number: AG0090G0(AGN-PC-07XU43)
Synonyms:
MDL No:
Molecular Formula: C11H9BrN2O2S
Molecular Weight: 313.1704

Identification/Properties


Computed Properties
Molecular Weight:
313.169g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
311.957g/mol
Monoisotopic Mass:
311.957g/mol
Topological Polar Surface Area:
93.4A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
285
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

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NMR Spectrum


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