Basic information
- CAS
752231-43-9- Standard SMILES
CCOC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl- InChIKey
KXTGQPLJEJKCDR-UHFFFAOYSA-N- Molecular formula
- C14H11ClO4
- Average molar mass
- 278.69 g/mol
- Monoisotopic mass
- 278.0345865
Names & identifiers
- Preferred name
- Ethyl 2-chloro-5-(5-formyl-2-furyl)benzoate
- IUPAC
- ethyl 2-chloro-5-(5-formylfuran-2-yl)benzoate
- English name
- ASISCHEM W57383
- Molecular formula
- C14H11ClO4
- Molecular weight
- 278.69
Names & synonyms
752231-43-9Ethyl 2-chloro-5-(5-formyl-2-furyl)benzoateethyl 2-chloro-5-(5-formylfuran-2-yl)benzoateOprea1_366636SCHEMBL18920608DTXSID70395152BBL023640MFCD01158422STL291129AKOS000103354VS-07473DB-208897
Show more names
AKOS BB270ASISCHEM W57383CHEMBRDG-BB 6782256Benzoic acid, 2-chloro-5-(5-formyl-2-furanyl)-, ethyl esterethyl 2-chloro-5-(5-formyl-2-furyl)benzoate(SALTDATA: FREE)
CS-0322489Ethyl2-chloro-5-(5-formyl-2-furyl)benzoateethyl2-chloro-5-(5-formylfuran-2-yl)benzoate
Database identifiers
- CAS
752231-43-9- PubChem CID
- 3694527
- DTXSID
DTXSID70395152
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Boiling point
- 440.3 · 440.3±45.0 °C(Predicted)
- Density
- 1.293 · 1.293±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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