| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2008 | 11 | No |
Popular Name: 2-Nitroresorcinol 2-Nitroresorcinol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 601-89-8 , [601-89-8]
None
| 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) | 1.36 | 0.53 | -42.51 | 1 | 5 | -1 | 89 | 154.101 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.36 | -0.25 | -12.51 | 2 | 5 | 0 | 86 | 155.109 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 234 | TCI |
| Mp [°C] | 80 - 84 | Acros Organics |
| MP | 81 - 83 | Enamine Building Blocks |
| Melting_Point | 81-85? | Alfa-Aesar |
| Melting_Point | 81-85° | Alfa-Aesar |
| MP | 81...83 | Enamine Building Blocks |
| MP | 83 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.