Structure Info
- Chemspace ID
- CSMB00021460426 (Enamine MADE)
- IUPAC Name
- methyl 7-amino-8-chloro-2,3-dihydro-1,4-benzodioxine-6-carboxylate
- Mol formula
- C10H10ClNO4
- Mol weight
- 244 Da
- Catalog Number(s)
- BBV-95952740, CSC021460426, FCH7074126
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.91
- Heavy atoms count
- 16
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.3
- Polar surface area (Å)
- 71
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00021460426
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