Basic information
- CAS
39084-98-5- Standard SMILES
O=C(NCc1ccc2c(c1)OCO2)C(Cl)Cl- InChIKey
JUTGSFBYRFTEOX-UHFFFAOYSA-N- Molecular formula
- C10H9Cl2NO3
- Average molar mass
- 262.09 g/mol
- Monoisotopic mass
- 260.9959485
Names & identifiers
- Preferred name
- N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloroacetamide
- IUPAC
- N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloroacetamide
Names & synonyms
N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloroacetamide39084-98-5NSC123820CBMicro_030446Cambridge id 6108968SCHEMBL9781248DTXSID50298516STK417015AKOS003272803NSC-123820BIM-0030511.P001ST50920277
Show more names
SR-01000227897SR-01000227897-1N-[(2H-1,3-Benzodioxol-5-yl)methyl]-2,2-dichloroacetamideN-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)-2,2-dichloroacetamide
Database identifiers
- CAS
39084-98-5- PubChem CID
- 276249
- DTXSID
DTXSID50298516
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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