Basic information
- CAS
13909-18-7- Standard SMILES
O=NN(CCCl)C(=O)Nc1ccccc1Cl- InChIKey
ZGMLAQSKZLLLHK-UHFFFAOYSA-N- Molecular formula
- C9H9Cl2N3O2
- Average molar mass
- 262.09 g/mol
- Monoisotopic mass
- 261.0071819
Names & identifiers
- Preferred name
- 1-(2-Chloroethyl)-3-(2-chlorophenyl)-1-nitrosourea
- IUPAC
- 1-(2-chloroethyl)-3-(2-chlorophenyl)-1-nitrosourea
Names & synonyms
13909-18-71-(2-chloroethyl)-3-(2-chlorophenyl)-1-nitrosoureaNSC80594DTXSID00292165NSC-80594N-(2-Chloroethyl)-N'-(2-chlorophenyl)-N-nitrosourea
Database identifiers
- CAS
13909-18-7- PubChem CID
- 255243
- DTXSID
DTXSID00292165
Properties
Computed structural properties
- XLogP
- 3.1
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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