Basic information
- CAS
13909-27-8- Standard SMILES
CC(=O)c1ccc(NC(=O)N(CCCl)N=O)cc1- InChIKey
ORTCFPGDEOWLRK-UHFFFAOYSA-N- Molecular formula
- C11H12ClN3O3
- Average molar mass
- 269.68 g/mol
- Monoisotopic mass
- 269.0567189
Names & identifiers
- Preferred name
- 3-(4-Acetylphenyl)-1-(2-chloroethyl)-1-nitrosourea
- IUPAC
- 3-(4-acetylphenyl)-1-(2-chloroethyl)-1-nitrosourea
Names & synonyms
13909-27-83-(4-acetylphenyl)-1-(2-chloroethyl)-1-nitrosoureaNSC89207Urea, 3-(p-acetylphenyl)-1-(2-chloroethyl)-1-nitroso-DTXSID60293395Urea, N'-(4-acetylphenyl)-N-(2-chloroethyl)-N-nitroso-NSC-89207N'-(4-Acetylphenyl)-N-(2-chloroethyl)-N-nitrosourea
Database identifiers
- CAS
13909-27-8- PubChem CID
- 259337
- DTXSID
DTXSID60293395
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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