2-Furanacetic acid, 2,3-dihydro-5-(4-chlorophenyl)-3-oxo-alpha,2,4-trichloro-, methyl ester
Basic information
- CAS
139266-55-0- Standard SMILES
COC(=O)C(Cl)C1(Cl)OC(c2ccc(Cl)cc2)=C(Cl)C1=O- InChIKey
XGHQYXJQUSVSAK-UHFFFAOYSA-N- Molecular formula
- C13H8Cl4O4
- Average molar mass
- 370 g/mol
- Monoisotopic mass
- 367.91767
Names & identifiers
- Preferred name
- 2-Furanacetic acid, 2,3-dihydro-5-(4-chlorophenyl)-3-oxo-alpha,2,4-trichloro-, methyl ester
- IUPAC
- methyl 2-chloro-2-[2,4-dichloro-5-(4-chlorophenyl)-3-oxofuran-2-yl]acetate
- English name
- methyl 2-chloro-2-[2,4-dichloro-5-(4-chlorophenyl)-3-oxo-2-furyl]aceta te
- Molecular formula
- C13H8Cl4O4
- Molecular weight
- 0
Names & synonyms
139266-55-02-Furanacetic acid, 2,3-dihydro-5-(4-chlorophenyl)-3-oxo-alpha,2,4-trichloro-, methyl esterRefChem:1063178BRN 5449700Methyl 2,3-dihydro-5-(4-chlorophenyl)-3-oxo-alpha,2,4-trichloro-2-furanacetatemethyl 2-chloro-2-[2,4-dichloro-5-(4-chlorophenyl)-3-oxofuran-2-yl]acetateCHEMBL4439655Reaxys ID: 5449700methyl 2-chloro-2-[2,4-dichloro-5-(4-chlorophenyl)-3-oxo-2-furyl]aceta te
Database identifiers
- CAS
139266-55-0- PubChem CID
- 3071909
- ChEMBL
CHEMBL4439655- Nikkaji
- J443.247I
Properties
Computed structural properties
- XLogP
- 4.2
- 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
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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