Ethyl 6-chloro-4-oxo-chromene-2-carboxylate
Basic information
- CAS
38322-69-9- Standard SMILES
CCOC(=O)c1cc(=O)c2cc(Cl)ccc2o1- InChIKey
JKMIKRDROJBJMP-UHFFFAOYSA-N- Molecular formula
- C12H9ClO4
- Average molar mass
- 252.65 g/mol
- Monoisotopic mass
- 252.0189365
Names & identifiers
- Preferred name
- Ethyl 6-chloro-4-oxo-chromene-2-carboxylate
- IUPAC
- ethyl 6-chloro-4-oxochromene-2-carboxylate
- English name
- ethyl 6-chloro-4-oxo-chromene-2-carboxylate
- Molecular formula
- C12H9ClO4
- Molecular weight
- 252.65
Names & synonyms
38322-69-9ETHYL 6-CHLORO-4-OXO-CHROMENE-2-CARBOXYLATEethyl 6-chloro-4-oxo-4H-chromene-2-carboxylateMFCD011992044H-1-Benzopyran-2-carboxylic acid, 6-chloro-4-oxo-, ethyl esterEthyl 6-chloro-4-oxo-4H-1-benzopyran-2-carboxylateCHEMBL2312486ethyl 6-chloro-4-oxochromene-2-carboxylateBRN 12505526-chloro-4-oxo-4H-chromene-2-carboxylic acid ethyl esterMaybridge4_001052Oprea1_600481
Show more names
ethyl 6-chloro-4-oxo-chromene-2-carboxylate - [E86638]
SCHEMBL1503886DTXSID60191685JKMIKRDROJBJMP-UHFFFAOYSA-NHMS1523P18BDBM50489175ethyl 6-chlorochromone-2-carboxylateIDI1_031634SY323414
Database identifiers
- CAS
38322-69-9- PubChem CID
- 217219
- DTXSID
DTXSID60191685- ChEMBL
CHEMBL2312486- Nikkaji
- J3.721.832D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Boiling point
- 368.2 · 368.2±42.0 °C(Predicted)
- Density
- 1.394 · 1.394±0.06 g/cm3(Predicted)
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Related reactions
1 records
Compound notes
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