Basic information
- CAS
16170-76-6- Standard SMILES
COc1ccc(C(=O)C(Br)=CC(=O)O)cc1- InChIKey
UPZFHUODAYGHDZ-UHFFFAOYSA-N- Molecular formula
- C11H9BrO4
- Average molar mass
- 285.09 g/mol
- Monoisotopic mass
- 283.96842
Names & identifiers
- Preferred name
- 3-Bromo-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid
- IUPAC
- 3-bromo-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid
Names & synonyms
3-bromo-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid16170-76-6NCIMech_0000903-bromo-4-(4-methoxyphenyl)-4-oxo-2-butenoic acidSCHEMBL6716710DTXSID7048114FAA71140NCI60_000116NS00125755
Database identifiers
- CAS
16170-76-6- PubChem CID
- 30776
- DTXSID
DTXSID7048114
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…