Urea, 1-(2-chloroethyl)-3-(3-hydroxycyclohexyl)-1-nitroso-, (Z)-
Basic information
- CAS
56323-45-6- Standard SMILES
O=NN(CCCl)C(=O)N[C@@H]1CCC[C@H](O)C1- InChIKey
RLVBEHFQVMKVOD-SFYZADRCSA-N- Molecular formula
- C9H16ClN3O3
- Average molar mass
- 249.69 g/mol
- Monoisotopic mass
- 249.0880191
Names & identifiers
- Preferred name
- Urea, 1-(2-chloroethyl)-3-(3-hydroxycyclohexyl)-1-nitroso-, (Z)-
- IUPAC
- 1-(2-chloroethyl)-3-[(1R,3S)-3-hydroxycyclohexyl]-1-nitrosourea
Names & synonyms
56323-45-6Urea, 1-(2-chloroethyl)-3-(3-hydroxycyclohexyl)-1-nitroso-, (Z)-RefChem:1100727NSC 253945cis-1-(2-Chloroethyl)-3-(3-hydroxycyclohexyl)-1-nitrosoureaCHEMBL2051946
Database identifiers
- CAS
56323-45-6- PubChem CID
- 99633
- ChEMBL
CHEMBL2051946
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
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Compound notes
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