Structure Info
- Chemspace ID
- CSSS02495365810 (In-Stock Screening Compounds)
- CAS
- 2490398-50-8, 2551115-52-5
- MFCD
- MFCD32852876
- IUPAC Name
- methyl 4-(2-amino-1,1-difluoroethyl)benzoate hydrochloride
- Mol formula
- C10H12ClF2NO2
- Mol weight
- 252 Da
- Catalog Number(s)
- BB4LS-EN300-27145220, BL75067, EN300-27145220, Y3269493, Z4632757084
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.8
- Heavy atoms count
- 16
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.3
- Polar surface area (Å)
- 52
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSS02495365810
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