3-[(1R,2R)-2-chlorocyclohexyl]-1-methyl-1-nitrosourea
Basic information
- CAS
13908-90-2- Standard SMILES
CN(N=O)C(=O)N[C@@H]1CCCC[C@H]1Cl- InChIKey
VTKDDPRXZGFVKA-RNFRBKRXSA-N- Molecular formula
- C8H14ClN3O2
- Average molar mass
- 219.67 g/mol
- Monoisotopic mass
- 219.0774544
Names & identifiers
- Preferred name
- 3-[(1R,2R)-2-chlorocyclohexyl]-1-methyl-1-nitrosourea
- IUPAC
- 3-[(1R,2R)-2-chlorocyclohexyl]-1-methyl-1-nitrosourea
Names & synonyms
13908-90-2NSC87425NSC-87425
Database identifiers
- CAS
13908-90-2- PubChem CID
- 258495
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 225
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Compound notes
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