| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2008 | 15 | No |
Popular Name: Methyl 5-bromo-2-methyl-3-nitrobenzoate Methyl 5-bromo-2-methyl-3-nitrob…
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CAS Numbers: 220514-28-3 , [220514-28-3]
5-Bromo-2-methyl-3-nitrophenyl methylcarboxylate
Benzoic acid, 5-bromo-2-methyl-3-nitro-, methyl ester
Methyl-5-bromo-2-methyl-3-nitro benzoate
| 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) | 2.84 | 6.79 | -5.08 | 0 | 5 | 0 | 72 | 274.07 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 49 - 51 | Enamine Building Blocks |
| MP | 49...51 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 96% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.