| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 17 | No |
Popular Name: 3-Nitro-4-(pyrrolidin-1-yl)benzoic acid 3-Nitro-4-(pyrrolidin-1-yl)benzo…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 284679-97-6 , 40832-81-3 , [40832-81-3]
3-Nitro-4-(1-pyrrolidinyl)benzaldehyde
3-Nitro-4-(1-pyrrolidinyl)benzaldehyde, 97%
3-nitro-4-(pyrrolidin-1-yl)benzoicacid
3-Nitro-4-pyrrolidin-1-yl-benzoic acid
| 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) | 2.24 | 0.48 | -46.65 | 0 | 6 | -1 | 89 | 235.219 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 102-104? | Alfa-Aesar |
| Melting_Point | 102-104° | Alfa-Aesar |
| MP | 259 - 261 | Enamine Building Blocks |
| MP | 259...261 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
