Structure Info
- Chemspace ID
- CSSS00000732394 (In-Stock Screening Compounds)
- CAS
- 1396967-45-5
- MFCD
- MFCD11847989
- IUPAC Name
- methyl 2-(3-bromophenyl)-2-(diethoxyphosphoryl)acetate
- Mol formula
- C13H18BrO5P
- Mol weight
- 365 Da
- Catalog Number(s)
- AA61368, AR001C78, ArZ-UP207867, BB4LS-EN300-215442, BD01045783, CSC000732394, EN300-215442, FCG2109256617, M294598, SC-29809, WFC96745, Y3251135, Z2048860930, ZX-NM180546, ZXC265020
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.95
- Heavy atoms count
- 20
- Rotatable bond count
- 8
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.46153846153846
- Polar surface area (Å)
- 62
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSS00000732394
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