Structure Info
- Chemspace ID
- CSMB00012592754 (Enamine MADE)
- CAS
- 1517757-96-8
- MFCD
- MFCD21947510
- IUPAC Name
- 1-(chloromethoxy)-2,5-dimethyl-4-nitrobenzene
- Mol formula
- C9H10ClNO3
- Mol weight
- 216 Da
- Catalog Number(s)
- BBV-41962049, BD01060908, CS-0287169, CSC012592754, EN300-646423, FCH4826693, HY-W224652
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.4
- Heavy atoms count
- 14
- Rotatable bond count
- 3
- 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
- CSMB00012592754
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