| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2008 | 11 | Yes |
Popular Name: 6-CHLORO-1,3-BENZOXAZOL-2(3H)-ONE 6-CHLORO-1,3-BENZOXAZOL-2(3H)-ONE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 19932-84-4 , [19932-84-4]
2(3H)-Benzoxazolone, 6-chloro-
6-Chloro-2-benzoxazolinone, 98+%
| 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) | 2.29 | 0.73 | -38.28 | 0 | 3 | -1 | 49 | 168.559 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.83 | 2.47 | -9.52 | 1 | 3 | 0 | 46 | 169.567 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 192 - 193 | Acros Organics |
| MP | 195 | TCI |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| PUBCHEM_PATENT_ID | US5298527; US5416068 | IBM Patent Data |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.