Basic information
- CAS
42471-20-5- Standard SMILES
O=NN(CCCl)C(=O)NCc1ccncc1- InChIKey
CZASHGHVCDJAEB-UHFFFAOYSA-N- Molecular formula
- C9H11ClN4O2
- Average molar mass
- 242.66 g/mol
- Monoisotopic mass
- 242.0570533
Names & identifiers
- Preferred name
- 1-(2-Chloroethyl)-1-nitroso-3-(pyridin-4-ylmethyl)urea
- IUPAC
- 1-(2-chloroethyl)-1-nitroso-3-(pyridin-4-ylmethyl)urea
Names & synonyms
42471-20-51-(2-chloroethyl)-1-nitroso-3-(pyridin-4-ylmethyl)ureaNSC356534SCHEMBL11700401DTXSID70320227NSC-356534N-(2-Chloroethyl)-N-nitroso-N'-[(pyridin-4-yl)methyl]urea
Database identifiers
- CAS
42471-20-5- PubChem CID
- 337676
- DTXSID
DTXSID70320227
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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