Basic information
- CAS
13908-40-2- Standard SMILES
Cc1cccc(C)c1NC(=O)NCCCl- InChIKey
QURAGLSSZNXFCB-UHFFFAOYSA-N- Molecular formula
- C11H15ClN2O
- Average molar mass
- 226.7 g/mol
- Monoisotopic mass
- 226.0872908
Names & identifiers
- Preferred name
- Urea, 1-(2-chloroethyl)-3-(2,6-xylyl)-
- IUPAC
- 1-(2-chloroethyl)-3-(2,6-dimethylphenyl)urea
Names & synonyms
13908-40-21-(2-Chloroethyl)-3-(2,6-xylyl)ureaUrea, 1-(2-chloroethyl)-3-(2,6-xylyl)-NSC 91736BRN 23751013-(2-Chloroethyl)-1-(2,6-xylyl)ureaDTXSID801608934-12-00-02528 (Beilstein Handbook Reference)RefChem:387335DTXCID5083384NSC91736CHEMBL351818
Show more names
NSC-91736N-(2-Chloroethyl)-N'-(2,6-dimethylphenyl)urea
Database identifiers
- CAS
13908-40-2- PubChem CID
- 96887
- DTXSID
DTXSID80160893- ChEMBL
CHEMBL351818- Nikkaji
- J87.586D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 201
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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