| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 14 | No |
Popular Name: Methyl 4-methyl-3-nitrobenzoate Methyl 4-methyl-3-nitrobenzoate
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CAS Numbers: , 11/8/7356 12:00:00 AM , 1993077.0 , 7356-11-8 , 96-98-0 , 96-98-0, 7356-11-8
4-Methyl-3-nitro-benzoic acid methyl ester
4-Methyl-3-nitrobenzoic acid methyl ester
benzoic acid, 4-methyl-3-nitro-, methyl ester
Methyl 4-methyl-3-nitrobenzoate, 99%
| 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) | 2.44 | 3.04 | -10.72 | 0 | 5 | 0 | 72 | 195.174 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 47-49o C | Indofine |
| Melting_Point | 49-53? | Alfa-Aesar |
| Melting_Point | 49-53° | Alfa-Aesar |
| MP | 49-53°C | Indofine |
| MP | 51 | TCI |
| MP | 84-85° | Matrix Scientific |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| SOLUBILITY | Soluble in Methylene chloride | Indofine |
