tert-butyl N-(4-cyano-1,3-thiazol-2-yl)carbamate


Chemical Name: tert-butyl N-(4-cyano-1,3-thiazol-2-yl)carbamate
CAS Number: 1210278-19-5
Product Number: AG00749V(AGN-PC-07HB0K)
Synonyms:
MDL No:
Molecular Formula: C9H11N3O2S
Molecular Weight: 225.2675

Identification/Properties


Computed Properties
Molecular Weight:
225.266g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
225.057g/mol
Monoisotopic Mass:
225.057g/mol
Topological Polar Surface Area:
103A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
292
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


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