Naphthalen-2-yl(2-chloroethyl)nitrosocarbamate
Basic information
- CAS
5457-45-4- Standard SMILES
O=NN(CCCl)C(=O)Oc1ccc2ccccc2c1- InChIKey
UCMCUIVFESZRLU-UHFFFAOYSA-N- Molecular formula
- C13H11ClN2O3
- Average molar mass
- 278.69 g/mol
- Monoisotopic mass
- 278.0458199
Names & identifiers
- Preferred name
- Naphthalen-2-yl(2-chloroethyl)nitrosocarbamate
- IUPAC
- naphthalen-2-yl N-(2-chloroethyl)-N-nitrosocarbamate
Names & synonyms
5457-45-4naphthalen-2-yl(2-chloroethyl)nitrosocarbamateNSC24882DTXSID60282188NSC-24882Naphthalen-2-yl (2-chloroethyl)(nitroso)carbamate
Database identifiers
- CAS
5457-45-4- PubChem CID
- 230237
- DTXSID
DTXSID60282188
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- 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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