| CAS Number | 1251392-87-6 |
| Catalog Number | AG01AIL5 |
| Chemical Name | 5-(3-Fluoro-2-methylphenyl)furan-2-carbaldehyde |
| IUPAC Name | 5-(3-fluoro-2-methylphenyl)furan-2-carbaldehyde |
| InChI | InChI=1S/C12H9FO2/c1-8-10(3-2-4-11(8)13)12-6-5-9(7-14)15-12/h2-7H,1H3 |
| InChI Key | VIKXERCXDXFRES-UHFFFAOYSA-N |
| MDL Number | MFCD16066210 |
| Molecular Formula | C12H9FO2 |
| Molecular Weight | 204.1971 |
| SMILES | CC1=C(C2OC(C=O)=CC=2)C=CC=C1F |
| Synonyms | 5-(3-fluoro-2-methylphenyl)furan-2-carbaldehyde,
1251392-87-6,
SCHEMBL17802790,
ZINC43321729,
AKOS005265311,
NE40476,
EN300-78142,
5-(3-Fluoro-2-methyl-phenyl)-furan-2-carbaldehyde,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.2g/mol |
| Monoisotopic Mass | 204.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number