Structure Info
- Chemspace ID
- CSMB00028098574 (Enamine MADE)
- CAS
- 610758-81-1
- MFCD
- MFCD03266851
- IUPAC Name
- methyl 6-bromo-4-formyl-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
- Mol formula
- C12H9BrO5
- Mol weight
- 313 Da
- Catalog Number(s)
- 7359648, CS-97-394232, CSC028098574, EN300-1611576, F3139-0177, JH369961, OSSK_035002, PB56968346, STK856374, STOCK5S-39502, Z56890878
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.16
- Heavy atoms count
- 18
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.166
- Polar surface area (Å)
- 77
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00028098574
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