Structure Info
- Chemspace ID
- CSMB00031399384 (Enamine MADE)
- MFCD
- MFCD29043420
- IUPAC Name
- 2-methyl-1-nitro-4-propoxybenzene
- Mol formula
- C10H13NO3
- Mol weight
- 195 Da
- Catalog Number(s)
- BBV-47023118, BD00825594, CSC031399384, CSCR00000745399, FCH7005553, JH322326, PV-002174197717, Z57248825, s_7_101978_14390332, s_7____101978____14390332
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.15
- Heavy atoms count
- 14
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.4
- Polar surface area (Å)
- 52
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00031399384
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