| CAS Number | 79091-27-3 |
| Catalog Number | AG01A3BR(AGN-PC-0WO3VX) |
| Chemical Name | 2-Chloro-1-benzofuran-3-carbaldehyde |
| IUPAC Name | 2-chloro-1-benzofuran-3-carbaldehyde |
| InChI | InChI=1S/C9H5ClO2/c10-9-7(5-11)6-3-1-2-4-8(6)12-9/h1-5H |
| InChI Key | RHMCNPQUJWYBDR-UHFFFAOYSA-N |
| MDL Number | MFCD09035237 |
| Molecular Formula | C9H5ClO2 |
| Molecular Weight | 180.5878 |
| SMILES | O=CC1=C(Cl)OC2=C1C=CC=C2 |
| Synonyms | 2-chloro-1-benzofuran-3-carbaldehyde,
79091-27-3,
2-Chloro-3-benzofurancarboxaldehyde,
2-chloro-3-benzo(b)furanaldehyde,
2-Chlorobenzofuran-3-carbaldehyde,
ZINC20216418,
AKOS004123141,
NE53003,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.587g/mol |
| Monoisotopic Mass | 179.998g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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