Basic information
- CAS
88952-98-1- Standard SMILES
COc1cccc(-c2cc(=O)c3cc(Cl)cc(Cl)c3o2)c1- InChIKey
VMRIKMJBTFGURB-UHFFFAOYSA-N- Molecular formula
- C16H10Cl2O3
- Average molar mass
- 321.2 g/mol
- Monoisotopic mass
- 320.0006996
Names & identifiers
- Preferred name
- 6,8-Dichloro-2-(3-methoxyphenyl)-4H-1-benzopyran-4-one
- IUPAC
- 6,8-dichloro-2-(3-methoxyphenyl)chromen-4-one
Names & synonyms
88952-98-16,8-Dichloro-2-(3-methoxyphenyl)-4H-chromen-4-one6,8-Dichloro-2-(3-methoxyphenyl)-4H-1-benzopyran-4-oneDTXSID90526062
Database identifiers
- CAS
88952-98-1- PubChem CID
- 13190889
- DTXSID
DTXSID90526062
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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