Home Carboxys ethyl 2-(pyridin-4-yl)-1,3-thiazole-4-carboxylate hydrobromide

ethyl 2-(pyridin-4-yl)-1,3-thiazole-4-carboxylate hydrobromide

CAS No.:
89401-56-9
Catalog Number:
AG01ABNV
Molecular Formula:
C11H11BrN2O2S
Molecular Weight:
315.1862
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Product Description
Catalog Number:
AG01ABNV
Chemical Name:
ethyl 2-(pyridin-4-yl)-1,3-thiazole-4-carboxylate hydrobromide
CAS Number:
89401-56-9
Molecular Formula:
C11H11BrN2O2S
Molecular Weight:
315.1862
MDL Number:
MFCD26407660
IUPAC Name:
ethyl 2-pyridin-4-yl-1,3-thiazole-4-carboxylate;hydrobromide
InChI:
InChI=1S/C11H10N2O2S.BrH/c1-2-15-11(14)9-7-16-10(13-9)8-3-5-12-6-4-8;/h3-7H,2H2,1H3;1H
InChI Key:
JLGNQQXLHJQKDS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc(n1)c1ccncc1.Br
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.972g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
315.185g/mol
Monoisotopic Mass:
313.972g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties