Basic information
- CAS
77113-51-0- Standard SMILES
O=NN(CCCl)C(=O)NCC(O)CO- InChIKey
ACZWCVBYCKDESV-UHFFFAOYSA-N- Molecular formula
- C6H12ClN3O4
- Average molar mass
- 225.63 g/mol
- Monoisotopic mass
- 225.0516336
Names & identifiers
- Preferred name
- N-(2-Chloroethyl)-N'-(2,3-dihydroxypropyl)-N-nitrosourea
- IUPAC
- 1-(2-chloroethyl)-3-(2,3-dihydroxypropyl)-1-nitrosourea
Names & synonyms
77113-51-0DTXSID30320228N-(2-Chloroethyl)-N'-(2,3-dihydroxypropyl)-N-nitrosoureaRefChem:360591DTXCID20271351NSC356536SCHEMBL11195401NSC-3565361-(2-chloroethyl)-1-nitroso-3-(2,3-dihydroxypropyl)-urea
Database identifiers
- CAS
77113-51-0- PubChem CID
- 337677
- DTXSID
DTXSID30320228
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 192
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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