Structure Info
- Chemspace ID
- CSSS00021391691 (In-Stock Screening Compounds)
- CAS
- 1251761-05-3
- MFCD
- MFCD30734070
- IUPAC Name
- ethyl 3-bromo-4H,5H,6H-pyrrolo[1,2-b]pyrazole-2-carboxylate
- Mol formula
- C9H11BrN2O2
- Mol weight
- 259 Da
- Catalog Number(s)
- AG-B06590, AR01BIPQ, AW15986, ArZ-UP203540, BAC76105, BB4LS-EN300-379490, BBV-108663699, BD00837052, CS-0069228, CSC021391691, CSCR00001456280, D73797, D73797-0.25G, EN300-379490, HY-W068452, LN04836570, Y3137541, Z2733566193, Z2798559846, ZX-NM246815, ZXC242585, s_1458_13040990_483918, s_1458____13040990____483918
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.96
- Heavy atoms count
- 14
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.555
- Polar surface area (Å)
- 44
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSS00021391691
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