Structure Info
- Chemspace ID
- CSSS00013016798 (In-Stock Screening Compounds)
- CAS
- 1549427-78-2, 1423881-07-5
- MFCD
- MFCD24215263
- IUPAC Name
- 6-chloro-3,3,4-trimethyl-1,2,3,4-tetrahydroquinoxalin-2-one
- Mol formula
- C11H13ClN2O
- Mol weight
- 225 Da
- Catalog Number(s)
- A1073005, AR01ANR7, AV75863, ArZ-UP196239, ArZ-UP210907, BB4LS-EN300-226055, BBV-27057908, BD01016039, BVV-820764299, CSC013016798, EN300-226055, IMED2218636918, PB2218633149, Y3151736, Z1496553533, ZLC42778, ZX-NM183595, ZX-NM239514
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.63
- Heavy atoms count
- 15
- Rotatable bond count
- 0
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.363
- Polar surface area (Å)
- 32
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSS00013016798
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