Basic information
- CAS
14063-79-7- Standard SMILES
COc1ccc(C(Cl)=CC=O)cc1- InChIKey
ZDHOBXVUKIFNBV-UHFFFAOYSA-N- Molecular formula
- C10H9ClO2
- Average molar mass
- 196.63 g/mol
- Monoisotopic mass
- 196.0291072
Names & identifiers
- Preferred name
- 3-Chloro-3-(4-methoxyphenyl)-2-propenal
- IUPAC
- 3-chloro-3-(4-methoxyphenyl)prop-2-enal
Names & synonyms
3-Chloro-3-(4-methoxyphenyl)-2-propenalDTXSID301277976RefChem:499838DTXCID101708490SCHEMBL11161016161891-26-53-chloro-3-(4-methoxyphenyl)prop-2-enal
Database identifiers
- CAS
14063-79-7- PubChem CID
- 26439
- DTXSID
DTXSID301277976
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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