Benzothiazole, 5-chloro-2-(chloromethyl)-


Chemical Name: Benzothiazole, 5-chloro-2-(chloromethyl)-
CAS Number: 110704-19-3
Product Number: AG008X6K(AGN-PC-0NAR57)
Synonyms:
MDL No:
Molecular Formula: C8H5Cl2NS
Molecular Weight: 218.1030

Identification/Properties


Computed Properties
Molecular Weight:
218.095g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
216.952g/mol
Monoisotopic Mass:
216.952g/mol
Topological Polar Surface Area:
41.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
167
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


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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