Structure Info
- Chemspace ID
- CSSS00160570239 (In-Stock Screening Compounds)
- CAS
- 2408965-21-7
- MFCD
- MFCD32269061
- IUPAC Name
- methyl 3-(3-bromophenyl)pyrrolidine-3-carboxylate hydrochloride
- Mol formula
- C12H15BrClNO2
- Mol weight
- 321 Da
- Catalog Number(s)
- AT20979, BB4LS-EN300-7537237, BL68100, CSC160570239, EN300-7537237, Y3298113, Z4185449323, ZXC271686
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.2
- Heavy atoms count
- 17
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.416
- Polar surface area (Å)
- 38
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSS00160570239
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