| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 14th, 2008 | 13 | Yes |
Popular Name: 2-Chloro-6-benzothiazolecarboxylic acid 2-Chloro-6-benzothiazolecarboxyl…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3855-95-6 , [3855-95-6]
2-chloro-1,3-benzothiazole-6-carboxylic acid
2-chloro-1,3-benzothiazole-6-carboxylicacid
2-chlorobenzothiazole-6-carboxylic acid
2-chlorobenzo[d]thiazole-6-carboxylic acid
6-Benzothiazolecarboxylic acid, 2-chloro- (7CI,8CI,9CI)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.06 | -1.3 | -42.79 | 0 | 3 | -1 | 53 | 212.637 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 220 - 221 | KeyOrganics |
| MP | 220-221° | Matrix Scientific |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.