Structure Info
- Chemspace ID
- CSMB00010142891 (Enamine MADE)
- MFCD
- MFCD18379815
- IUPAC Name
- methyl 2,5-dibromo-3-methylbenzoate
- Mol formula
- C9H8Br2O2
- Mol weight
- 308 Da
- Catalog Number(s)
- AA01FDY2, AG275521, BBV-40244148, BD598711, CD12009743, CSC010142891, FCH1368041, ILB59710, LN02128208
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.03
- Heavy atoms count
- 13
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.222
- Polar surface area (Å)
- 26
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00010142891
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