Basic information
- CAS
3029-67-2- Standard SMILES
OC(N1CC1)C(Cl)(Cl)Cl- InChIKey
SIWVVQVQIQEIOK-UHFFFAOYSA-N- Molecular formula
- C4H6Cl3NO
- Average molar mass
- 190.45 g/mol
- Monoisotopic mass
- 188.951497
Names & identifiers
- Preferred name
- Ethanol, 1-(1-aziridinyl)-2,2,2-trichloro-
- IUPAC
- 1-(aziridin-1-yl)-2,2,2-trichloroethanol
Names & synonyms
Ethanol, 1-(1-aziridinyl)-2,2,2-trichloro-3029-67-2RefChem:1084431BRN 1341352alpha-(Trichloromethyl)-1-aziridinemethanol1-(1-Aziridinyl)-2,2,2-trichloroethanol1-(Aziridin-1-yl)-2,2,2-trichloroethan-1-ol5-20-01-00026 (Beilstein Handbook Reference)SCHEMBL28869307DTXSID80952654
Database identifiers
- CAS
3029-67-2- PubChem CID
- 145668
- DTXSID
DTXSID80952654- Nikkaji
- J49.816E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 23.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 109
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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