Benzoic acid, 4-[4-(chloromethyl)-2-thiazolyl]-


Chemical Name: Benzoic acid, 4-[4-(chloromethyl)-2-thiazolyl]-
CAS Number: 842137-56-8
Product Number: AG019N13(AGN-PC-015WKZ)
Synonyms:
MDL No:
Molecular Formula: C11H8ClNO2S
Molecular Weight: 253.7047

Identification/Properties


Computed Properties
Molecular Weight:
253.7g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
252.996g/mol
Monoisotopic Mass:
252.996g/mol
Topological Polar Surface Area:
78.4A^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


NMR Spectrum


Other Analytical Data


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