2-(chloromethyl)oxirane | SBID = 2661 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 12.5 | ||
| Ertl TPSA/Å2: | 12.53 | ||
| Hydrophilicity (PubChem XLogP): | 0.5 | ||
| Hydrophilicity (Cheng XLogP3): | 0.45 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 67.8 | ||
| Sum Formula: | C3H5ClO | ||
| M / g/mol: | 92.52 | ||
| Complexity: | 37.0 | ||
| Number of Conformers: | 6.0 |
Identifiers
- Tags:
- Name: 2-(chloromethyl)oxirane
- Preferred Abbreviation: EPICHLOROHYDRIN
- IUPAC Name: 2-(chloromethyl)oxirane
- CAS:
- CID: 7835
- InChiKey: BRLQWZUYTZBJKN-UHFFFAOYSA-N
- InChi: InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2
- CanoSmiles: C1C(O1)CCl
- IsoSmiles: C1C(O1)CCl
