Basic information
- CAS
13909-32-5- Standard SMILES
O=NN(CCCl)C(=O)Nc1ccc2c(c1)CCCC2- InChIKey
KTNNLWLSSJUKCE-UHFFFAOYSA-N- Molecular formula
- C13H16ClN3O2
- Average molar mass
- 281.74 g/mol
- Monoisotopic mass
- 281.0931045
Names & identifiers
- Preferred name
- Urea, 1-(2-chloroethyl)-1-nitroso-3-(5,6,7,8-tetrahydro-2-naphthyl)-
- IUPAC
- 1-(2-chloroethyl)-1-nitroso-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea
Names & synonyms
13909-32-5NSC 101341BRN 2891815Urea, 1-(2-chloroethyl)-1-nitroso-3-(5,6,7,8-tetrahydro-2-naphthyl)-1-(2-Chloroethyl)-1-nitroso-3-(5,6,7,8-tetrahydro-2-naphthyl)ureaDTXSID50160906RefChem:387315DTXCID4083397NSC101341NSC-101341Urea,6,7,8-tetrahydro-2-naphthyl)-N-(2-Chloroethyl)-N-nitroso-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)urea
Database identifiers
- CAS
13909-32-5- PubChem CID
- 97123
- DTXSID
DTXSID50160906
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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