Structure Info
- Chemspace ID
- CSSS00010121167 (In-Stock Screening Compounds)
- CAS
- 878742-56-4, 26629-10-7
- MFCD
- MFCD19695398
- IUPAC Name
- 3-(1-cyano-1-methylethyl)-4-fluorobenzoic acid
- Mol formula
- C11H10FNO2
- Mol weight
- 207 Da
- Catalog Number(s)
- ArZ-UP362055, BB4LS-EN300-9427103, BBV-45143510, BL26902, CSC010121167, EN300-9427103, FCH1716999, Y3221093, Z1508956224, ZX-NM264705, ZXC259072
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.57
- Heavy atoms count
- 15
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.272
- Polar surface area (Å)
- 61
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSS00010121167
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