Basic information
- CAS
80251-30-5- Standard SMILES
O=NN(CCCl)C(=O)Nc1ccc2c(c1)OCO2- InChIKey
AVLYOMOTASSHJT-UHFFFAOYSA-N- Molecular formula
- C10H10ClN3O4
- Average molar mass
- 271.66 g/mol
- Monoisotopic mass
- 271.0359835
Names & identifiers
- Preferred name
- N'-2H-1,3-Benzodioxol-5-yl-N-(2-chloroethyl)-N-nitrosourea
- IUPAC
- 3-(1,3-benzodioxol-5-yl)-1-(2-chloroethyl)-1-nitrosourea
Names & synonyms
80251-30-5NSC106537DTXSID30295962N'-2H-1,3-Benzodioxol-5-yl-N-(2-chloroethyl)-N-nitrosoureaNSC-106537Urea,3-benzodioxol-5-yl-N-(2-chloroethyl)-N-nitroso-N'-(2H-1,3-Benzodioxol-5-yl)-N-(2-chloroethyl)-N-nitrosourea
Database identifiers
- CAS
80251-30-5- PubChem CID
- 267347
- DTXSID
DTXSID30295962
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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