Structure Info
- Chemspace ID
- CSMB00010188222 (Enamine MADE)
- MFCD
- MFCD14666471
- IUPAC Name
- 2-bromo-3,4-dimethylbenzoic acid
- Mol formula
- C9H9BrO2
- Mol weight
- 229 Da
- Catalog Number(s)
- A010053093, AG218373, AGNPC-0WCAXF, B064800, BBV-40262625, BD467874, CD12155631, CS-0568680, CSC010188222, JH838134, LN00180976, MBC21777, SAB-026565
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.43
- Heavy atoms count
- 12
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.222
- Polar surface area (Å)
- 37
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00010188222
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