In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2004 | 14 | No |
Popular Name: Methyl 2-methyl-3-nitrobenzoate Methyl 2-methyl-3-nitrobenzoate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 59382-59-1 , [59382-59-1]
2-Methyl-3-nitrobenzoic acid methyl ester
benzoic acid, 2-methyl-3-nitro-, methyl ester
methyl 2-methyl-3-nitrobenzenecarboxylate
Methyl 2-methyl-3-nitrobenzoate, 97%
methyl-2-methyl-3-nitrobenzoate
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) | 2.08 | 2.94 | -9.2 | 0 | 5 | 0 | 72 | 195.174 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Melting_Point | 62-65? | Alfa-Aesar |
MP | 62-65° | Oakwood Chemical |
melting_point | 66 - 68 | KeyOrganics |
MP | 67 | TCI |
Purity | 95% | Fluorochem |
Purity | 95+% | Matrix Scientific |
Purity | 98% | Fluorochem |
Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.