Structure Info
- Chemspace ID
- CSCS00133107412 (Synthesis)
- CAS
- 2249212-81-3
- IUPAC Name
- 4-(3,4-dihydro-1H-2-benzopyran-5-carbonyl)-5,8-difluoro-3,4-dihydro-2H-1,4-benzoxazine
- Mol formula
- C18H15F2NO3
- Mol weight
- 331 Da
- Catalog Number(s)
- CSC133107412, CSCR00256052308, Z2999697158, s_1626____22065368____22057868
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.8
- Heavy atoms count
- 24
- Rotatable bond count
- 1
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.277
- Polar surface area (Å)
- 39
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSCS00133107412
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