Home Halogens Benzothiazole, 5-chloro-2-(chloromethyl)- (9CI)

Benzothiazole, 5-chloro-2-(chloromethyl)- (9CI)

CAS No.:
110704-19-3
Catalog Number:
AG008X6K
Molecular Formula:
C8H5Cl2NS
Molecular Weight:
218.1030
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Product Description
Catalog Number:
AG008X6K
Chemical Name:
Benzothiazole, 5-chloro-2-(chloromethyl)- (9CI)
CAS Number:
110704-19-3
Molecular Formula:
C8H5Cl2NS
Molecular Weight:
218.1030
MDL Number:
MFCD11217324
IUPAC Name:
5-chloro-2-(chloromethyl)-1,3-benzothiazole
InChI:
InChI=1S/C8H5Cl2NS/c9-4-8-11-6-3-5(10)1-2-7(6)12-8/h1-3H,4H2
InChI Key:
LNZBRKLHATUCPG-UHFFFAOYSA-N
SMILES:
ClCc1nc2c(s1)ccc(c2)Cl
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.952g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.095g/mol
Monoisotopic Mass:
216.952g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties