2-chloro-1,3-benzothiazole-6-carbonitrile


Chemical Name: 2-chloro-1,3-benzothiazole-6-carbonitrile
CAS Number: 80945-83-1
Product Number: AG0038F7(AGN-PC-03IOGY)
Synonyms:
MDL No:
Molecular Formula: C8H3ClN2S
Molecular Weight: 194.6408

Identification/Properties


Computed Properties
Molecular Weight:
194.636g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
193.971g/mol
Monoisotopic Mass:
193.971g/mol
Topological Polar Surface Area:
64.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
224
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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