3-[(1s,2s)-2-Chlorocyclohexyl]-1-(2-chloroethyl)-1-nitrosourea
Basic information
- CAS
13909-12-1- Standard SMILES
O=NN(CCCl)C(=O)N[C@H]1CCCC[C@@H]1Cl- InChIKey
AVQDABCAQFMRFT-YUMQZZPRSA-N- Molecular formula
- C9H15Cl2N3O2
- Average molar mass
- 268.14 g/mol
- Monoisotopic mass
- 267.0541321
Names & identifiers
- Preferred name
- 3-[(1s,2s)-2-Chlorocyclohexyl]-1-(2-chloroethyl)-1-nitrosourea
- IUPAC
- 3-[(1S,2S)-2-chlorocyclohexyl]-1-(2-chloroethyl)-1-nitrosourea
Names & synonyms
SRI 26363-[(1s,2s)-2-chlorocyclohexyl]-1-(2-chloroethyl)-1-nitrosoureaUrea, 3-(trans-2-chlorocyclohexyl)-1-(2-chloroethyl)-1-nitroso-CHEMBL2001752SCHEMBL41977874NSC881043-[(1R,2R)-2-Chlorocyclohexyl]-1-(2-chloroethyl)-1-nitrosoureaNSC-88104NCI60_041949trans-3(2-Chlorocyclohexyl)-1-(2-chloroethyl)-1-nitroso-urea
Database identifiers
- CAS
13909-12-1- PubChem CID
- 258797
- ChEMBL
CHEMBL2001752- Nikkaji
- J1.579.786J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 253
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Compound notes
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