4-Nitrophenol | SBID = 595 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 66.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.9 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 104.3 | ||
| Sum Formula: | C6H5NO3 | ||
| M / g/mol: | 139.11 | ||
| Complexity: | 123.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest, charged
- Name: 4-Nitrophenol
- Preferred Abbreviation: 4-Nitrophenol
- IUPAC Name: 4-nitrophenol
- CAS: 100-02-7
- CID: 980
- InChiKey: BTJIUGUIPKRLHP-UHFFFAOYSA-N
- InChi: InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
- CanoSmiles: C1=CC(=CC=C1[N+](=O)[O-])O
- IsoSmiles: C1=CC(=CC=C1[N+](=O)[O-])O
