4-Thiazolecarboxylic acid, 2-(bromomethyl)-, ethyl ester


Chemical Name: 4-Thiazolecarboxylic acid, 2-(bromomethyl)-, ethyl ester
CAS Number: 78502-71-3
Product Number: AG00GPGI(AGN-PC-0NEXPH)
Synonyms:
MDL No:
Molecular Formula: C7H8BrNO2S
Molecular Weight: 250.1129

Identification/Properties


Computed Properties
Molecular Weight:
250.11g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
248.946g/mol
Monoisotopic Mass:
248.946g/mol
Topological Polar Surface Area:
67.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
168
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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