3-Iodo-7-methoxy-4H-1-benzopyran-4-one
Basic information
- CAS
73220-42-5- Standard SMILES
COc1ccc2c(=O)c(I)coc2c1- InChIKey
RAMRIHLZEAHUBU-UHFFFAOYSA-N- Molecular formula
- C10H7IO3
- Average molar mass
- 302.06 g/mol
- Monoisotopic mass
- 301.94399
Names & identifiers
- Preferred name
- 3-Iodo-7-methoxy-4H-1-benzopyran-4-one
- IUPAC
- 3-iodo-7-methoxychromen-4-one
- English name
- 3-iodo-7-methoxy-4H-chromen-4-one
- Molecular formula
- C10H7IO3
- Molecular weight
- 302.07
Names & synonyms
73220-42-53-Iodo-7-methoxy-4H-1-benzopyran-4-oneRefChem:2800753-IODO-7-METHOXY-4H-CHROMEN-4-ONE3-iodo-7-methoxychromen-4-oneMFCD021689283-iodo-7-methoxy-chromen-4-one7-methoxy-3-iodochromoneSCHEMBL21091077-methoxy-3-iodochromen-4-oneCHEMBL4755464RAMRIHLZEAHUBU-UHFFFAOYSA-N
Show more names
4H-1-Benzopyran-4-one, 3-iodo-7-methoxy-3-iodo-7-methoxy-4H-benzenebenzopyran-4-one3-IODO-7-METHOXY-4H-CHROMEN-4-ONE(WXC06256)
DTXSID601282019AKOS027254924AS-61490SY126518DB-124448CS-0030157AO-397/14375002F389388
Database identifiers
- CAS
73220-42-5- PubChem CID
- 848817
- DTXSID
DTXSID601282019- ChEMBL
CHEMBL4755464- Nikkaji
- J1.541.183J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Melting point
- 103 · 103-105 °C
- Boiling point
- 348.8 · 348.8±42.0 °C(Predicted)
- Density
- 1.89 · 1.89±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
4 records
Compound notes
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