Basic information
- CAS
51850-74-9- Standard SMILES
O=C(COc1ccccc1Cl)N1CC1- InChIKey
YTAWTKWPIQOXTI-UHFFFAOYSA-N- Molecular formula
- C10H10ClNO2
- Average molar mass
- 211.64 g/mol
- Monoisotopic mass
- 211.0400063
Names & identifiers
- Preferred name
- 1-(1-Aziridinyl)-2-(2-chlorophenoxy)ethanone
- IUPAC
- 1-(aziridin-1-yl)-2-(2-chlorophenoxy)ethanone
- English name
- 1-[(2-Chlorophenoxy)acetyl]aziridine
- Molecular formula
- C10H10ClNO2
- Molecular weight
- 211.64
Names & synonyms
51850-74-9AZIRIDINE, 1-((2-CHLOROPHENOXY)ACETYL)-DTXSID90199811RefChem:1053720DTXCID501223021-(1-Aziridinyl)-2-(2-chlorophenoxy)ethanoneBRN 1109665N-(2-Chlorophenoxyacetyl)aziridine1-((o-Chlorophenoxy)acetyl)aziridine1-(aziridin-1-yl)-2-(2-chlorophenoxy)ethan-1-oneSCHEMBL279796311-[(2-Chlorophenoxy)acetyl ]aziridine
Show more names
1-[(2-Chlorophenoxy)acetyl]aziridineEthanone, 1-(1-aziridinyl)-2-(2-chlorophenoxy)-
DB-301175
Database identifiers
- CAS
51850-74-9- PubChem CID
- 40149
- DTXSID
DTXSID90199811- Nikkaji
- J84.726G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 378 · 378.0±22.0 °C(Predicted)
- Density
- 1.357 · 1.357±0.06 g/cm3(Predicted)
- pka
- -2.83 · -2.83±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…