Structure Info
- Chemspace ID
- CSMB00137351859 (Enamine MADE)
- MFCD
- MFCD28781679
- IUPAC Name
- methyl 5-cyano-2-nitro-4-(trifluoromethyl)benzoate
- Mol formula
- C10H5F3N2O4
- Mol weight
- 274 Da
- Catalog Number(s)
- A015013214, BBV-356737275, BD01376650, CSC137351859, FXC12100
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.65
- Heavy atoms count
- 19
- 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
- Zoom the structure
- CSMB00137351859
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