Basic information
- CAS
13908-19-5- Standard SMILES
O=C(NCCCl)N[C@@H]1CCCC[C@H]1Cl- InChIKey
ZRESKLJYSGQVEZ-HTQZYQBOSA-N- Molecular formula
- C9H16Cl2N2O
- Average molar mass
- 239.14 g/mol
- Monoisotopic mass
- 238.0639685
Names & identifiers
- Preferred name
- 1-[(1R,2R)-2-chlorocyclohexyl]-3-(2-chloroethyl)urea
- IUPAC
- 1-[(1R,2R)-2-chlorocyclohexyl]-3-(2-chloroethyl)urea
Names & synonyms
13908-19-5NSC88110NSC-88110
Database identifiers
- CAS
13908-19-5- PubChem CID
- 258802
Properties
Computed structural properties
- XLogP
- 1.9
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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