2-Furanacetic acid, 2,3-dihydro-5-(4-methylphenyl)-3-oxo-alpha,2,4-tribromo-, methyl ester
Basic information
- CAS
127244-99-9- Standard SMILES
COC(=O)C(Br)C1(Br)OC(c2ccc(C)cc2)=C(Br)C1=O- InChIKey
SIFAGRYRFUCLGG-UHFFFAOYSA-N- Molecular formula
- C14H11Br3O4
- Average molar mass
- 482.95 g/mol
- Monoisotopic mass
- 479.82075
Names & identifiers
- Preferred name
- 2-Furanacetic acid, 2,3-dihydro-5-(4-methylphenyl)-3-oxo-alpha,2,4-tribromo-, methyl ester
- IUPAC
- methyl 2-bromo-2-[2,4-dibromo-5-(4-methylphenyl)-3-oxofuran-2-yl]acetate
Names & synonyms
127244-99-92-Furanacetic acid, 2,3-dihydro-5-(4-methylphenyl)-3-oxo-alpha,2,4-tribromo-, methyl esterRefChem:1063181BRN 3624857Methyl 2,3-dihydro-5-(4-methylphenyl)-3-oxo-alpha,2,4-tribromo-2-furanacetate
Database identifiers
- CAS
127244-99-9- PubChem CID
- 3080101
- Nikkaji
- J443.243F
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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