Structure Info
- Chemspace ID
- CSMB00010871179 (Enamine MADE)
- MFCD
- MFCD00506726
- IUPAC Name
- 5-methoxy-1,3-dimethyl-2-nitrobenzene
- Mol formula
- C9H11NO3
- Mol weight
- 181 Da
- Catalog Number(s)
- 147753, 2932AL, A010014523, A399344, AA00EKC3, AG00EKEV, AG181217, AG79439, AO79439, AR00EL3V, AS-46286, BBV-51270230, BD334771, CD12055904, CL9305, CS-0163030, CSC010871179, D638707, F474856, FCH2409987, HY-W109507, LAN-B34888, LCA01903, LN03253006, LQT-B34952, OR956366, SAB-119244, W163110, Y0998610, Y1316689, ZXC080789
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.78
- Heavy atoms count
- 13
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 52
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00010871179
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