Acetic acid, bromo(5-(4-chlorophenyl)-3-oxo-2(3H)-furanylidene)-, ethyl ester
Basic information
- CAS
139266-47-0- Standard SMILES
CCOC(=O)/C(Br)=C1/OC(c2ccc(Cl)cc2)=CC1=O- InChIKey
SNFLXVKRZZDMIL-SEYXRHQNSA-N- Molecular formula
- C14H10BrClO4
- Average molar mass
- 357.58 g/mol
- Monoisotopic mass
- 355.9451
Names & identifiers
- Preferred name
- Acetic acid, bromo(5-(4-chlorophenyl)-3-oxo-2(3H)-furanylidene)-, ethyl ester
- IUPAC
- ethyl (2Z)-2-bromo-2-[5-(4-chlorophenyl)-3-oxofuran-2-ylidene]acetate
Names & synonyms
Acetic acid, bromo(5-(4-chlorophenyl)-3-oxo-2(3H)-furanylidene)-, ethyl ester139266-47-0RefChem:1075767BRN 5445447Ethyl bromo(5-(4-chlorophenyl)-3-oxo-2(3H)-furanylidene)acetate
Database identifiers
- CAS
139266-47-0- PubChem CID
- 3071902
- Nikkaji
- J443.226F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 476
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Compound notes
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