Urea, 1-(2-chloroethyl)-3-(2,5-dimethoxyphenyl)-
Basic information
- CAS
102433-39-6- Standard SMILES
COc1ccc(OC)c(NC(=O)NCCCl)c1- InChIKey
ATOSFFSYPUQKHR-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-(2,5-dimethoxyphenyl)-
- IUPAC
- 1-(2-chloroethyl)-3-(2,5-dimethoxyphenyl)urea
- English name
- 1-(2-Chloroethyl)-3-(2,5-dimethoxyphenyl)urea
- Molecular formula
- C11H15ClN2O3
- Molecular weight
- 258.7
Names & synonyms
102433-39-6Urea, 1-(2-chloroethyl)-3-(2,5-dimethoxyphenyl)-RefChem:11007201-(2-Chloroethyl)-3-(2,5-dimethoxyphenyl)urea3-(2-Chloroethyl)-1-(2,5-dimethoxyphenyl)ureaUrea, N-(2-chloroethyl)-N'-(2,5-dimethoxyphenyl)-NSC160106DTXSID20907542NSC-160106N'-(2-Chloroethyl)-N-(2,5-dimethoxyphenyl)carbamimidic acid
Database identifiers
- CAS
102433-39-6- PubChem CID
- 293487
- DTXSID
DTXSID20907542- Nikkaji
- J59.427J
Properties
Computed structural properties
- XLogP
- 1.7
- 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
- 241
Physicochemical properties
- Boiling point
- 375.9 · 375.9±42.0 °C(Predicted)
- Density
- 1.248 · 1.248±0.06 g/cm3(Predicted)
- pka
- 12.91 · 12.91±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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