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Structure Info
- Chemspace ID
- CSCS00137350031 (Synthesis)
- MFCD
- MFCD28743921
- IUPAC Name
methyl 4-(bromomethyl)-5-cyano-2-nitrobenzoate
- Mol formula
- C10H7BrN2O4
- Mol weight
- 299 Da
- Catalog Number(s)
A015009493, CSC137350031
Properties
- LogP
- 2.55
- Heavy atoms count
- 17
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.2
- Polar surface area (Å)
- 93
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
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