| CAS Number | 1554658-43-3 |
| Catalog Number | AG019F07 |
| Chemical Name | 4-Chloro-3-fluoro-2-methoxybenzaldehyde |
| IUPAC Name | 4-chloro-3-fluoro-2-methoxybenzaldehyde |
| InChI | InChI=1S/C8H6ClFO2/c1-12-8-5(4-11)2-3-6(9)7(8)10/h2-4H,1H3 |
| InChI Key | CPTCARQGVGJMHA-UHFFFAOYSA-N |
| MDL Number | MFCD24686301 |
| Molecular Formula | C8H6ClFO2 |
| Molecular Weight | 188.5834 |
| SMILES | COc1c(F)c(Cl)ccc1C=O |
| Synonyms | 4-chloro-3-fluoro-2-methoxybenzaldehyde,
1554658-43-3,
SCHEMBL4595685,
MFCD24686301,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.582g/mol |
| Monoisotopic Mass | 188.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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