Structure Info
- Chemspace ID
- CSMB00013022591 (Enamine MADE)
- MFCD
- MFCD22200000
- IUPAC Name
- 3-bromo-4-chloro-5-methylbenzoic acid
- Mol formula
- C8H6BrClO2
- Mol weight
- 249 Da
- Catalog Number(s)
- 35839, AA021PXC, AG021Q04, AR021QP4, BBV-49321540, BD01534967, BI39388, CS-0192847, CSC013022591, E92166, F630560, HY-W136618, U128777, Y3227771
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.52
- Heavy atoms count
- 12
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.125
- Polar surface area (Å)
- 37
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00013022591
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