Structure Info
- Chemspace ID
- CSMB00010232208 (Enamine MADE)
- MFCD
- MFCD11007872
- IUPAC Name
- 1-bromo-2-methoxy-4-methyl-5-nitrobenzene
- Mol formula
- C8H8BrNO3
- Mol weight
- 246 Da
- Catalog Number(s)
- 80679, 153657, 80679-0.25G, 861076-28-0, A010008501, A2166527, A218458, AA00IDTX, ABC00194662, AC042703, AF11369, AG00IDWP, AG125415, AI57633, AOS00IDWP, AQ57633, AR00IELP, AS-41505, ArZ-UP391186, B415605, BBV-40277308, BD218714, CD12023023, CM108757, CP006521, CS-0052591, CSC010232208, D273165, D495737, E52836, F328942, FCH1401201, G-5614, HY-W060737, JH515832, LAN-B08490, LJB07628, LN00213356, LQT-B08517, OR55313, PB03683, SAB-037673, SY027334, Y0978073, Y1195062, ZXC164322
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.04
- Heavy atoms count
- 13
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.25
- Polar surface area (Å)
- 52
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00010232208
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