4-oxo-4H-1-benzopyran-2-carbonyl chloride
Basic information
- CAS
5112-47-0- Standard SMILES
O=C(Cl)c1cc(=O)c2ccccc2o1- InChIKey
FAEHWELEABAGRQ-UHFFFAOYSA-N- Molecular formula
- C10H5ClO3
- Average molar mass
- 208.6 g/mol
- Monoisotopic mass
- 207.9927217
Names & identifiers
- Preferred name
- 4-oxo-4H-1-benzopyran-2-carbonyl chloride
- IUPAC
- 4-oxochromene-2-carbonyl chloride
- English name
- 4-oxo-4H-1-benzopyran-2-carbonyl chloride
- Molecular formula
- C10H5ClO3
- Molecular weight
- 208.6
Names & synonyms
5112-47-04-Oxo-4H-1-benzopyran-2-carbonyl chlorideEINECS 225-841-2DTXSID70199137RefChem:100267DTXCID00121628225-841-24-Oxo-4H-chromene-2-carbonyl chloride4-oxochromene-2-carbonyl chloride4H-1-Benzopyran-2-carbonyl chloride, 4-oxo-HSU8L8F8SJ2-(Chlorocarbonyl)chromone
Show more names
4H-1-BENZOPYRAN-2-CARBONYL CHLORIDE,4-OXO-
2-Chromonecarbonyl chloridechromone-2-carbonyl chlorideSCHEMBL66331814-oxo-chromene-2-carbonyl chloridechromone-2-carboxylic acid chlorideSBB076465AKOS0051360754-Oxo-4H-chromene-2-carbonyl chloride #
Database identifiers
- CAS
5112-47-0- PubChem CID
- 78788
- DTXSID
DTXSID70199137- UNII
- HSU8L8F8SJ
- EC Number
- 225-841-2
- Nikkaji
- J203.306B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Melting point
- 108 · 108-109 °C(Solv: cyclohexane (110-82-7))
- Boiling point
- 305.6 · 305.6±42.0 °C(Predicted)
- Density
- 1.477 · 1.477±0.06 g/cm3(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…