| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2013 | 0 | 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: 019932-84-4 , 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 |
|---|
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 187 - 189 | Enamine Building Blocks |
| MP | 187...189 | Enamine Building Blocks |
| Mp [°C] | 192 - 193 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| 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 |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.