8-Chloro-3',4',5,7-tetrahydroxyisoflavone
Basic information
- CAS
124236-24-4- Standard SMILES
O=c1c(-c2ccc(O)c(O)c2)coc2c(Cl)c(O)cc(O)c12- InChIKey
PXEKXMKLPKBART-UHFFFAOYSA-N- Molecular formula
- C15H9ClO6
- Average molar mass
- 320.68 g/mol
- Monoisotopic mass
- 320.0087657
Overview
8-Chloro-3',4',5,7-tetrahydroxyisoflavone has been reported in Streptomyces with data available.
Names & identifiers
- Preferred name
- 8-Chloro-3',4',5,7-tetrahydroxyisoflavone
- IUPAC
- 8-chloro-3-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
- English name
- 8-chloro-3',4',5,7-tetrahydroxyisoflavone
- Molecular weight
- 0
Names & synonyms
8-Cthif8-Chloro-3',4',5,7-tetrahydroxyisoflavone124236-24-4DTXSID501542448-chloro-3-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-oneRefChem:107006DTXCID70767358-Chloro-3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-oneSCHEMBL99917504H-1-Benzopyran-4-one, 8-chloro-3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
Database identifiers
- CAS
124236-24-4- PubChem CID
- 5486848
- DTXSID
DTXSID50154244- Nikkaji
- J1.146.667B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Comptox DTXSID
- 50154244 · DTXSID50154244
- HS Code
- 2932999099 · 2932999099
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2932999099
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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