Chloreturon
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Basic information
- CAS
20782-58-5- Standard SMILES
CCOc1ccc(NC(=O)N(C)C)cc1Cl- InChIKey
YKYGJHGXTSEGDB-UHFFFAOYSA-N- Molecular formula
- C11H15ClN2O2
- Average molar mass
- 242.7 g/mol
- Monoisotopic mass
- 242.0822054
Names & identifiers
- Preferred name
- Chloreturon
- IUPAC
- 3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
- English name
- 1-(3-Chloro-4-ethoxyphenyl)-3,3-dimethylurea
- Molecular formula
- C11H15ClN2O2
- Molecular weight
- 242.7
Names & synonyms
ChloreturonChloreturon [ISO]UNII-9R4M8DOI7O9R4M8DOI7O3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylureaDTXSID80174874N'-(3-CHLORO-4-ETHOXYPHENYL)-N,N-DIMETHYLUREARefChem:125306DTXCID109736520782-58-5SCHEMBL132331Q27272935
Show more names
1-(3-Chloro-4-ethoxyphenyl)-3,3-dimethylureaUrea, N'-(3-chloro-4-ethoxyphenyl)-N,N-dimethyl-
Database identifiers
- CAS
20782-58-5- PubChem CID
- 19834572
- DTXSID
DTXSID80174874- UNII
- 9R4M8DOI7O
- Nikkaji
- J10.940A
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Boiling point
- 402.1 · 402.1±45.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 13.87 · 13.87±0.70(Predicted)
- FDA UNII
- 9 R4M8DOI7O · 9R4M8DOI7O
Chemistry & industry
Applications
DescriptionChloreturon is an obsolete herbicide. Little data is available regarding its environmental fate, ecotoxicology or impacts on human health.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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