methyl 4-amino-3-phenyl-1,2-thiazole-5-carboxylate


Chemical Name: methyl 4-amino-3-phenyl-1,2-thiazole-5-carboxylate
CAS Number: 82424-58-6
Product Number: AG008JZH(AGN-PC-00KR8O)
Synonyms:
MDL No:
Molecular Formula: C11H10N2O2S
Molecular Weight: 234.2743

Identification/Properties


Computed Properties
Molecular Weight:
234.273g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
234.046g/mol
Monoisotopic Mass:
234.046g/mol
Topological Polar Surface Area:
93.4A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
256
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:
H315-H319
Precautionary Statements:
P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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