| CAS Number | 591224-05-4 |
| Catalog Number | AG00EQLD(AGN-PC-0WB4TV) |
| Chemical Name | 5-(4-Chloro-2-fluorophenyl)furan-2-carbaldehyde |
| IUPAC Name | 5-(4-chloro-2-fluorophenyl)furan-2-carbaldehyde |
| InChI | InChI=1S/C11H6ClFO2/c12-7-1-3-9(10(13)5-7)11-4-2-8(6-14)15-11/h1-6H |
| InChI Key | NPEKTQYNJCJCQT-UHFFFAOYSA-N |
| MDL Number | MFCD03722926 |
| Molecular Formula | C11H6ClFO2 |
| Molecular Weight | 224.6155 |
| SMILES | C1(=CC=C(C=O)O1)C1C=CC(=CC=1F)Cl |
| Synonyms | 591224-05-4,
5-(4-CHLORO-2-FLUOROPHENYL)-2-FURALDEHYDE,
5-(4-chloro-2-fluorophenyl)furan-2-carbaldehyde,
AC1LHPU2,
CTK5A9467,
DTXSID90358380,
ZINC466639,
BBL025850,
MFCD03722926,
STL378506,
AKOS000104782,
MCULE-8994600656,
AJ-23055,
Y-0783,
5- -2-FURALDEHYDE,
CID891208,
ZINC00466639,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.615g/mol |
| Monoisotopic Mass | 224.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number