Basic information
- CAS
102645-54-5- Standard SMILES
CN(C)C=C(C=O)Oc1ccc(Cl)c(Cl)c1- InChIKey
ZNCDORGWHRORNA-UHFFFAOYSA-N- Molecular formula
- C11H11Cl2NO2
- Average molar mass
- 260.11 g/mol
- Monoisotopic mass
- 259.01668395
Names & identifiers
- Preferred name
- 2-(3,4-Dichlorophenoxy)-3-(dimethylamino)prop-2-enal
- IUPAC
- 2-(3,4-dichlorophenoxy)-3-(dimethylamino)prop-2-enal
Names & synonyms
102645-54-52-(3,4-Dichlorophenoxy)-3-(dimethylamino)prop-2-enal2-Propenal, 2-(3,4-dichlorophenoxy)-3-(dimethylamino)-SCHEMBL5647224DTXSID10712182ZNCDORGWHRORNA-UHFFFAOYSA-N2-(3,4-Dichlorophenoxy)-3-dimethylaminopropenal2-(3,4-dichlorophenoxy)-3-dimethylamino-propenal2-(3,4-dichloro-phenoxy)-3-dimethylamino-propenal
Database identifiers
- CAS
102645-54-5- PubChem CID
- 54555818
- DTXSID
DTXSID10712182
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 269
Related reactions
5 records
Compound notes
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