Structure Info
- Chemspace ID
- CSSS00000697480 (In-Stock Screening Compounds)
- CAS
- 1029714-95-1
- MFCD
- MFCD20660015
- IUPAC Name
- 4-acetyl-2-fluorobenzoic acid
- Mol formula
- C9H7FO3
- Mol weight
- 182 Da
- Catalog Number(s)
- A019099757, A165553, A377332, AE21940, AF18712, AG317324, AGN-0091KK, AR0092F4, AS-48684, BB4LS-EN300-126969, BBV-39944123, BD768044, CS-0308671, CSC000697480, EN300-126969, ERB71495, F52498, F52498-0.25G, F535655, HY-W265289, JPM2-00-5001, LN03271149, Y3263784, Z1262558957, ZXC267514
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.33
- Heavy atoms count
- 13
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.111
- Polar surface area (Å)
- 54
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSS00000697480
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