Basic information
- CAS
80354-51-4- Standard SMILES
O=NN(CCCl)C(=O)Oc1cc(Cl)c(Cl)cc1Cl- InChIKey
WJSDAFAYDXCQLE-UHFFFAOYSA-N- Molecular formula
- C9H6Cl4N2O3
- Average molar mass
- 332 g/mol
- Monoisotopic mass
- 329.913253
Names & identifiers
- Preferred name
- 2,4,5-Trichlorophenyl (2-chloroethyl)nitrosocarbamate
- IUPAC
- (2,4,5-trichlorophenyl) N-(2-chloroethyl)-N-nitrosocarbamate
Names & synonyms
80354-51-4NSC3340392,4,5-Trichlorophenyl (2-chloroethyl)nitrosocarbamateSCHEMBL8722508DTXSID80318690NSC-3340392,4,5-Trichlorophenyl (2-chloroethyl)(nitroso)carbamate
Database identifiers
- CAS
80354-51-4- PubChem CID
- 333366
- DTXSID
DTXSID80318690
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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