| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 10 | Yes |
Popular Name: Methyl 5-chloro-2H-1,2,3-triazole-4-carboxylate Methyl 5-chloro-2H-1,2,3-triazol…
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CAS Numbers: 88474-33-3 , [88474-33-3]
1H-1,2,3-triazole-4-carboxylic acid, 5-chloro-, methyl ester
5-Chloro-1 H -[1,2,3]triazole-4-carboxylic acid me
5-Chloro-1 H -[1,2,3]triazole-4-carboxylic acid methyl ester
5-Chloro-1H-[1,2,3]triazole-4-carboxylic acid methyl ester
5-Chloro-1H-[1,2,3]triazole-4-carboxylic acidmethyl ester
5-chloro-1h-[1,2,3]triazole-4-carboxylicacidmethylester
CHLOROTRIAZOLECARBOXYLICACIDMETHYLESTE
| 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) | 0.66 | 0.6 | -6.08 | 1 | 5 | 0 | 68 | 161.548 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.66 | 0.4 | -32.21 | 0 | 5 | -1 | 66 | 160.54 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.66 | 0.64 | -6 | 1 | 5 | 0 | 68 | 161.548 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 138-139° | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.