Structure Info
- Chemspace ID
- CSMB00010712851 (Enamine MADE)
- MFCD
- MFCD22494076, MFCD18398041
- IUPAC Name
- methyl 3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
- Mol formula
- C15H20BFO4
- Mol weight
- 294 Da
- Catalog Number(s)
- 12-3626, 30487, 191312, A019064700, ADB8003845001, AG00IDYC, AG146249, AQ57692, AS-46591, BBV-78003684, BD282483, CD12022872, CS-0175779, CS2286, CS2286-0.05G, CS2286-0.25G, CSC010712851, D398622, D546105, D913224, F462512, FCH2889724, HY-W118615, LAN-B68946, LJB90522, LN00218884, M225520, P38170, SAB-040615, SY030667, W166256, W47768, Y0989074, Y1292
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.65
- Heavy atoms count
- 21
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.533
- Polar surface area (Å)
- 45
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00010712851
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