| CAS Number | 110704-19-3 |
| Catalog Number | AG008X6K(AGN-PC-0NAR57) |
| Chemical Name | 5-Chloro-2-(Chloromethyl)-1,3-Benzothiazole |
| 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 |
| MDL Number | MFCD11217324 |
| Molecular Formula | C8H5Cl2NS |
| Molecular Weight | 218.1030 |
| SMILES | C1=CC2=C(C=C1Cl)N=C(CCl)S2 |
| Synonyms | 110704-19-3,
5-Chloro-2-(chloromethyl)benzo[d]thiazole,
5-chloro-2-(chloromethyl)-1,3-benzothiazole,
SCHEMBL201922,
CTK8G5634,
DTXSID40445057,
LNZBRKLHATUCPG-UHFFFAOYSA-N,
ZINC34482204,
5-chloro-2-chloromethyl benzothiazole,
5-chloro-2-chloromethyl-benzothiazole,
AKOS009468513,
5-Chloro-2-chloromethylbenzo[d]thiazole,
AJ-88843,
Benzothiazole, 5-chloro-2-(chloromethyl)- (9CI),
5-chloro-2-(chloromethyl)benzothiazole,
CID10798839,
5-Chloro-2-chloromethylbenzo[d]thiazole, 97% - 10MG 10mg,
|
| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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