| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 14 | No |
Popular Name: 7-nitro-2H-1,4-benzoxazin-3(4H)-one 7-nitro-2H-1,4-benzoxazin-3(4H)-one
Find On: PubMed — Wikipedia — Google
CAS Numbers: 81721-86-0 , [81721-86-0]
7-Nitro-2H-1,4-benzoxazin-3(4H)-one, 97%
7-Nitro-2H-benzo[b][1,4]oxazin-3(4H)-one
7-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-one
| 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) | 0.92 | 2.4 | -9.51 | 1 | 6 | 0 | 84 | 194.146 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 225 - 227 | Enamine Building Blocks |
| MP | 225...227 | Enamine Building Blocks |
| melting_point | 232 - 234 | KeyOrganics |
| MP | 232-234° | Matrix Scientific |
| MP | 234 - 236 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
