| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2008 | 11 | No |
Popular Name: 3-Methyl-4-nitrophenol 3-Methyl-4-nitrophenol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2581-34-2 , 910311-23-8 , [2581-34-2]
2-Nitro-5-hydroxytoluene; 4-Nitro-3-cresol; 4-Nitro-5-methylphenol; 5-Hydroxy-2-nitrotoluene
4-Nitro-3-(Trifluoromethyl)Phenol [88-30-2]; (5-Hydroxy-2-nitrobenzotrifluoride)
| 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) | 1.79 | 2.88 | -10.24 | 1 | 4 | 0 | 66 | 153.137 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 126-130? | Alfa-Aesar |
| Melting_Point | 126-130° | Alfa-Aesar |
| MP | 127 - 129 | Enamine Building Blocks |
| MP | 127...129 | Enamine Building Blocks |
| MP | 128 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | APIChem |
| Purity | 99% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_PATENT_ID | WO1998050356A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.