| CAS Number | 96489-54-2 |
| Catalog Number | AG003A7K(AGN-PC-0239BD) |
| Chemical Name | 2-Chlorobenzo[d]thiazol-7-ol |
| IUPAC Name | 2-chloro-1,3-benzothiazol-7-ol |
| InChI | InChI=1S/C7H4ClNOS/c8-7-9-4-2-1-3-5(10)6(4)11-7/h1-3,10H |
| InChI Key | WNYYLFBWDIBLGA-UHFFFAOYSA-N |
| MDL Number | MFCD18415694 |
| Molecular Formula | C7H4ClNOS |
| Molecular Weight | 185.6308 |
| SMILES | Oc1cccc2nc(Cl)sc12 |
| Synonyms | 96489-54-2,
2-chloro-1,3-benzothiazol-7-ol,
2-Chlorobenzo[d]thiazol-7-ol,
2-chloro-7-hydroxybenzothiazole,
SCHEMBL9305900,
KS-000004VA,
MFCD18415694,
ZINC45237004,
FCH1179242,
AS-52556,
AX8264152,
CS-0051980,
7-Benzothiazolol, 2-chloro- (9CI),
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| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.625g/mol |
| Monoisotopic Mass | 184.97g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number