Structure Info
- Chemspace ID
- CSMB00000753298 (Enamine MADE)
- CAS
- 66411-18-5
- MFCD
- MFCD09261179
- IUPAC Name
- 6,7-dibromo-8-nitro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
- Mol formula
- C9H5Br2NO6
- Mol weight
- 383 Da
- Catalog Number(s)
- 0202AC, 18703, 38922, A019094089, ACM66411185, AG115150, AGNPC-02V8YM, BBV-441304, BD246088, CD11076442, CSC000753298, D079725, EN300-72106, FCG2235776546, LN00201451, RCA41118, Z1147137615
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.62
- Heavy atoms count
- 18
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.222
- Polar surface area (Å)
- 99
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00000753298
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