Structure Info
- Chemspace ID
- CSMB00014256970 (Enamine MADE)
- CAS
- 1253927-67-1
- IUPAC Name
- 2-bromo-5-isocyanato-1,3-dimethylbenzene
- Mol formula
- C9H8BrNO
- Mol weight
- 226 Da
- Catalog Number(s)
- BBV-57378865, CSC014256970, EN300-293147, IMED1946173789
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.68
- Heavy atoms count
- 12
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.222
- Polar surface area (Å)
- 29
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00014256970
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