Basic information
- CAS
6976-46-1- Standard SMILES
O=NN(CCCl)C(=O)Oc1ccccc1- InChIKey
UKYAPGRNQNGWQK-UHFFFAOYSA-N- Molecular formula
- C9H9ClN2O3
- Average molar mass
- 228.63 g/mol
- Monoisotopic mass
- 228.0301698
Names & identifiers
- Preferred name
- Phenyl(2-chloroethyl)nitrosocarbamate
- IUPAC
- phenyl N-(2-chloroethyl)-N-nitrosocarbamate
Names & synonyms
6976-46-1phenyl(2-chloroethyl)nitrosocarbamateNSC24884SCHEMBL10879162DTXSID30282190NSC-24884Phenyl (2-chloroethyl)(nitroso)carbamate
Database identifiers
- CAS
6976-46-1- PubChem CID
- 230239
- DTXSID
DTXSID30282190
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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