Basic information
- CAS
137987-95-2- Standard SMILES
O=c1c(Oc2ccc(Cl)cc2Cl)coc2cc(O)ccc12- InChIKey
ACYPLYZYFPYPNS-UHFFFAOYSA-N- Molecular formula
- C15H8Cl2O4
- Average molar mass
- 323.1 g/mol
- Monoisotopic mass
- 321.9799641
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 3-(2,4-dichlorophenoxy)-7-hydroxy-
- IUPAC
- 3-(2,4-dichlorophenoxy)-7-hydroxychromen-4-one
Names & synonyms
BRN 54457514H-1-Benzopyran-4-one, 3-(2,4-dichlorophenoxy)-7-hydroxy-3-(2,4-Dichlorophenoxy)-7-hydroxy-4H-1-benzopyran-4-oneDTXSID50160421RefChem:297289DTXCID3082912137987-95-2Oprea1_744238SCHEMBL18550851AKOS002671819
Database identifiers
- CAS
137987-95-2- PubChem CID
- 5747331
- DTXSID
DTXSID50160421
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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