Urea, 1-(2-chloroethyl)-3-(2,6-dimethoxyphenyl)-
Basic information
- CAS
21561-22-8- Standard SMILES
COc1cccc(OC)c1NC(=O)NCCCl- InChIKey
LVEPMIDOBXJGDU-UHFFFAOYSA-N- Molecular formula
- C11H15ClN2O3
- Average molar mass
- 258.7 g/mol
- Monoisotopic mass
- 258.07712
Names & identifiers
- Preferred name
- Urea, 1-(2-chloroethyl)-3-(2,6-dimethoxyphenyl)-
- IUPAC
- 1-(2-chloroethyl)-3-(2,6-dimethoxyphenyl)urea
Names & synonyms
1-(2-Chloroethyl)-3-(2,6-dimethoxyphenyl)urea21561-22-8KTU7K422BHUrea, 1-(2-chloroethyl)-3-(2,6-dimethoxyphenyl)-NSC 162330NSC-162330DTXSID10175899N-(2-CHLOROETHYL)-N'-(2,6-DIMETHOXYPHENYL)UREAUREA, N-(2-CHLOROETHYL)-N'-(2,6-DIMETHOXYPHENYL)-RefChem:203423DTXCID0098390NSC162330
Show more names
UNII-KTU7K422BH
Database identifiers
- CAS
21561-22-8- PubChem CID
- 98731
- DTXSID
DTXSID10175899- UNII
- KTU7K422BH
- Nikkaji
- J59.428H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 229
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Compound notes
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