Basic information
- CAS
127244-98-8- Standard SMILES
COC(=O)C(Cl)C1(Cl)OC(c2ccc(C)cc2)=C(Cl)C1=O- InChIKey
DZLNGVPJQWUUPW-UHFFFAOYSA-N- Molecular formula
- C14H11Cl3O4
- Average molar mass
- 349.6 g/mol
- Monoisotopic mass
- 347.972292
Names & identifiers
- Preferred name
- 2-Furanacetic acid, 2,3-dihydro-5-(4-methylphenyl)-3-oxo-alpha,2,4-trichloro-, methyl ester
- IUPAC
- methyl 2-chloro-2-[2,4-dichloro-5-(4-methylphenyl)-3-oxofuran-2-yl]acetate
Names & synonyms
2-Furanacetic acid, 2,3-dihydro-5-(4-methylphenyl)-3-oxo-alpha,2,4-trichloro-, methyl ester127244-98-8RefChem:1063182BRN 3624826Methyl 2,3-dihydro-5-(4-methylphenyl)-3-oxo-alpha,2,4-trichloro-2-furanacetate
Database identifiers
- CAS
127244-98-8- PubChem CID
- 3080100
- Nikkaji
- J443.246K
Properties
Computed structural properties
- XLogP
- 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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