Soman | SBID = 1625 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 26.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 2.0 | ||
| 3D Volume/Å3: | 139.8 | ||
| Sum Formula: | C7H16FO2P | ||
| M / g/mol: | 182.17 | ||
| Complexity: | 174.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest
- Name: Soman
- Preferred Abbreviation: Soman
- IUPAC Name: 3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane
- CAS: 96-64-0
- CID: 7305
- InChiKey: GRXKLBBBQUKJJZ-UHFFFAOYSA-N
- InChi: InChI=1S/C7H16FO2P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3
- CanoSmiles: CC(C(C)(C)C)OP(=O)(C)F
- IsoSmiles: CC(C(C)(C)C)OP(=O)(C)F
