| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 16 | Yes |
Popular Name: 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid 2-(4-chlorophenyl)-4-methyl-1,3-…
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CAS Numbers: 54001-17-1 , [54001-17-1]
2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylicacid
2-(4-Chlorophenyl)-4-methylthiazole-5-carboxylic acid
4-Methyl-2-(4-chlorophenyl)thiazole-5-carboxylic acid
| 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) | 3.50 | 7.12 | -44.74 | 0 | 3 | -1 | 53 | 252.702 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.92 | 10.15 | -42.24 | 1 | 4 | 1 | 47 | 384.428 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 213 - 215 | Enamine Building Blocks |
| MP | 213...215 | Enamine Building Blocks |
| MP | 265 - 267 | Enamine Building Blocks |
| MP | 268-269° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
