1-(2-Chloroethyl)-3-(3-chlorophenyl)urea
Basic information
- CAS
13908-34-4- Standard SMILES
O=C(NCCCl)Nc1cccc(Cl)c1- InChIKey
IRLDFZCVRIBROP-UHFFFAOYSA-N- Molecular formula
- C9H10Cl2N2O
- Average molar mass
- 233.09 g/mol
- Monoisotopic mass
- 232.0170183
Names & identifiers
- Preferred name
- 1-(2-Chloroethyl)-3-(3-chlorophenyl)urea
- IUPAC
- 1-(2-chloroethyl)-3-(3-chlorophenyl)urea
Names & synonyms
13908-34-4NSC 80591N-(2-chloroethyl)-N'-(3-chlorophenyl)urea1-(2-chloroethyl)-3-(3-chlorophenyl)ureaNSC80591SCHEMBL6687855SCHEMBL30797219DTXSID20292162NSC-80591AKOS008937086Urea, 1-(2-chloroethyl)-3-(m-chloropheneyl)-
Database identifiers
- CAS
13908-34-4- PubChem CID
- 255240
- DTXSID
DTXSID20292162
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 190
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Compound notes
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