Structure Info
- Chemspace ID
- CSCS00007090680 (Synthesis)
- MFCD
- MFCD31924826, MFCD31924826
- IUPAC Name
- ethyl 3-(4-chloro-2-methoxyphenyl)-3-oxopropanoate
- Mol formula
- C12H13ClO4
- Mol weight
- 257 Da
- Catalog Number(s)
- A1-19055, BBV-56644184, BC5700167, CSC007090680
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.37
- Heavy atoms count
- 17
- Rotatable bond count
- 6
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.33333333333333
- Polar surface area (Å)
- 53
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSCS00007090680
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