Basic information
- CAS
102434-17-3- Standard SMILES
O=C(NCCBr)Nc1ccc2c(c1)OCO2- InChIKey
RDCOKGWXWNQHHF-UHFFFAOYSA-N- Molecular formula
- C10H11BrN2O3
- Average molar mass
- 287.11 g/mol
- Monoisotopic mass
- 285.9953
Names & identifiers
- Preferred name
- Urea, 1-(2-bromoethyl)-3-(1,3-benzodioxol-5-yl)-
- IUPAC
- 1-(1,3-benzodioxol-5-yl)-3-(2-bromoethyl)urea
Names & synonyms
Urea, 1-(2-bromoethyl)-3-(1,3-benzodioxol-5-yl)-102434-17-31-(2-Bromoethyl)-3-(3,4-methylenedioxyphenyl)ureaDTXSID20145144RefChem:387290DTXCID5067635NSC162180NSC-162180N-(2H-1,3-Benzodioxol-5-yl)-N'-(2-bromoethyl)urea
Database identifiers
- CAS
102434-17-3- PubChem CID
- 294178
- DTXSID
DTXSID20145144- Nikkaji
- J83.793H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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