Basic information
- CAS
66052-62-8- Standard SMILES
O=NN(CCCl)C(=O)N[C@@H]1CCCC[C@@H]1O- InChIKey
STQSMIAHSQBRBH-SFYZADRCSA-N- Molecular formula
- C9H16ClN3O3
- Average molar mass
- 249.69 g/mol
- Monoisotopic mass
- 249.0880191
Names & identifiers
- Preferred name
- cis-2-Hydroxy-CCNU
- IUPAC
- 1-(2-chloroethyl)-3-[(1R,2S)-2-hydroxycyclohexyl]-1-nitrosourea
Names & synonyms
cis-2-Hydroxy-CCNU66052-62-8RefChem:10819301-(2-Chloroethyl)-3-(cis-2-hydroxycyclohexyl)-1-nitrosoureacis-2-OH-CCNUNSC 253946Urea, 1-(2-chloroethyl)-3-(cis-2-hydroxycyclohexyl)-1-nitroso-Urea, N-(2-chloroethyl)-N'-(2-hydroxycyclohexyl)-N-nitroso-, cis-CHEMBL2051945
Database identifiers
- CAS
66052-62-8- PubChem CID
- 149291
- ChEMBL
CHEMBL2051945- Nikkaji
- J1.580.247B
Properties
Computed structural properties
- XLogP
- 1.8
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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