1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-(p-chlorophenyl)-4-methyl-, methyl ester, (E)-
Basic information
- CAS
86616-99-1- Standard SMILES
COC(=O)[C@H]1Oc2ccc(Cl)cc2[C@@](C)(c2ccc(Cl)cc2)O1- InChIKey
GXZSCOQRIDIQTP-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-(p-chlorophenyl)-4-methyl-, methyl ester, (E)-
- IUPAC
- methyl (2S,4R)-6-chloro-4-(4-chlorophenyl)-4-methyl-1,3-benzodioxine-2-carboxylate
Names & synonyms
RU 26674BRN 51198931,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-(p-chlorophenyl)-4-methyl-, methyl ester, (E)-86616-99-1trans-6-Chloro-4-(p-chlorophenyl)-4-methyl-1,3-benzodioxan-2-carboxylic acid methyl esterDTXSID30235702RefChem:217818DTXCID20158193Methyl (2S,4R)-6-chloro-4-(4-chlorophenyl)-4-methyl-2H,4H-1,3-benzodioxine-2-carboxylate
Database identifiers
- CAS
86616-99-1- PubChem CID
- 3070549
- DTXSID
DTXSID30235702
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
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…