| CAS Number | 1360594-78-0 |
| Catalog Number | AG00J2BY(AGN-PC-0WOM0T) |
| Chemical Name | 4-(2,2,2-Trifluoroethyl)benzaldehyde |
| IUPAC Name | 4-(2,2,2-trifluoroethyl)benzaldehyde |
| InChI | InChI=1S/C9H7F3O/c10-9(11,12)5-7-1-3-8(6-13)4-2-7/h1-4,6H,5H2 |
| InChI Key | PCYNRZZHBBBWCC-UHFFFAOYSA-N |
| MDL Number | MFCD22063115 |
| Molecular Formula | C9H7F3O |
| Molecular Weight | 188.1465 |
| SMILES | C(F)(F)(F)CC1=CC=C(C=C1)C=O |
| Synonyms | 4-(2,2,2-TRIFLUOROETHYL)BENZALDEHYDE,
1360594-78-0,
SCHEMBL6536342,
MFCD22063115,
ZINC82391518,
AKOS022702924,
AB76687,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.149g/mol |
| Monoisotopic Mass | 188.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number