4-Thiazolecarboxylic acid, 2-amino-5-chloro-, methyl ester


Chemical Name: 4-Thiazolecarboxylic acid, 2-amino-5-chloro-, methyl ester
CAS Number: 914348-76-8
Product Number: AG00GULZ(AGN-PC-05W60Y)
Synonyms:
MDL No:
Molecular Formula: C5H5ClN2O2S
Molecular Weight: 192.6234

Identification/Properties


Computed Properties
Molecular Weight:
192.617g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
191.976g/mol
Monoisotopic Mass:
191.976g/mol
Topological Polar Surface Area:
93.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
169
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


Other Analytical Data


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