| CAS Number | 944898-37-7 |
| Catalog Number | AG01BFZR(AGN-PC-09ROEZ) |
| Chemical Name | 2-(3-(Trifluoromethoxy)phenyl)acetaldehyde |
| IUPAC Name | 2-[3-(trifluoromethoxy)phenyl]acetaldehyde |
| InChI | InChI=1S/C9H7F3O2/c10-9(11,12)14-8-3-1-2-7(6-8)4-5-13/h1-3,5-6H,4H2 |
| InChI Key | MVQGPRADDZTDED-UHFFFAOYSA-N |
| MDL Number | MFCD10696558 |
| Molecular Formula | C9H7F3O2 |
| Molecular Weight | 204.1459 |
| SMILES | FC(OC1=CC(CC=O)=CC=C1)(F)F |
| Synonyms | 944898-37-7,
2-(3-(TRIFLUOROMETHOXY)PHENYL)ACETALDEHYDE,
3-trifluoromethoxyphenylacetaldehyde,
2-[3-(TRIFLUOROMETHOXY)PHENYL]ACETALDEHYDE,
SCHEMBL1035570,
ZINC61703786,
AKOS012212889,
AB57629,
BBV-36647533,
SC-61385,
EN300-189020,
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| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.148g/mol |
| Monoisotopic Mass | 204.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number