Basic information
- CAS
42471-22-7- Standard SMILES
O=NN(CCCl)C(=O)NCc1cccnc1- InChIKey
LXYDRKACMKCOJS-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-3-ylmethyl)urea
- IUPAC
- 1-(2-chloroethyl)-1-nitroso-3-(pyridin-3-ylmethyl)urea
Names & synonyms
42471-22-71-(2-chloroethyl)-1-nitroso-3-(pyridin-3-ylmethyl)ureaNSC356532SCHEMBL11700826DTXSID10320226NSC-356532N-(2-Chloroethyl)-N-nitroso-N'-[(pyridin-3-yl)methyl]urea
Database identifiers
- CAS
42471-22-7- PubChem CID
- 337675
- DTXSID
DTXSID10320226
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
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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