1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-(m-chlorophenyl)-4-methyl-, methyl ester, (E)-
Basic information
- CAS
86616-98-0- Standard SMILES
COC(=O)[C@H]1Oc2ccc(Cl)cc2[C@@](C)(c2cccc(Cl)c2)O1- InChIKey
FLLPBGBBXAQBRX-DLBZAZTESA-N- Molecular formula
- C17H14Cl2O4
- Average molar mass
- 353.2 g/mol
- Monoisotopic mass
- 352.0269143
Names & identifiers
- Preferred name
- 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-(m-chlorophenyl)-4-methyl-, methyl ester, (E)-
- IUPAC
- methyl (2S,4R)-6-chloro-4-(3-chlorophenyl)-4-methyl-1,3-benzodioxine-2-carboxylate
Names & synonyms
RU 259611,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-(m-chlorophenyl)-4-methyl-, methyl ester, (E)-86616-98-0trans-6-Chloro-4-(m-chlorophenyl)-4-methyl-1,3-benzodioxan-2-carboxylic acid methyl esterDTXSID70235701RefChem:217817DTXCID60158192Methyl (2S,4R)-6-chloro-4-(3-chlorophenyl)-4-methyl-2H,4H-1,3-benzodioxine-2-carboxylate
Database identifiers
- CAS
86616-98-0- PubChem CID
- 3070548
- DTXSID
DTXSID70235701
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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