Basic information
- CAS
55661-37-5- Standard SMILES
O=NN(CCCl)C(=O)Nc1cccnc1- InChIKey
UPPQCQAXXMVSGI-UHFFFAOYSA-N- Molecular formula
- C8H9ClN4O2
- Average molar mass
- 228.63 g/mol
- Monoisotopic mass
- 228.0414032
Names & identifiers
- Preferred name
- 1-(2-Chloroethyl)-1-nitroso-3-pyridin-3-ylurea
- IUPAC
- 1-(2-chloroethyl)-1-nitroso-3-pyridin-3-ylurea
Names & synonyms
NSC27639055661-37-5CHEMBL1199803DTXSID40313747NSC-276390N-(2-Chloroethyl)-N-nitroso-N'-(pyridin-3-yl)urea
Database identifiers
- CAS
55661-37-5- PubChem CID
- 321891
- DTXSID
DTXSID40313747- ChEMBL
CHEMBL1199803
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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