Structure Info
- Chemspace ID
- CSSS00135261659 (In-Stock Screening Compounds)
- CAS
- 2387048-39-5, 2382895-40-9
- MFCD
- MFCD34186601
- IUPAC Name
- 2,6-dichloro-3-(hydroxymethyl)benzoic acid
- Mol formula
- C8H6Cl2O3
- Mol weight
- 221 Da
- Catalog Number(s)
- BB4LS-EN300-28227050, BBV-148334077, BL33508, BVV-821262841, CSC135261659, EN300-28227050, FCH20006792, Y3193734, Z3325844514, ZXC253676
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.07
- Heavy atoms count
- 13
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.125
- Polar surface area (Å)
- 58
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSSS00135261659
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