| CAS Number | 1368345-17-8 |
| Catalog Number | AG00J2BP |
| Chemical Name | 3-(2,2,2-Trifluoroethyl)benzaldehyde |
| IUPAC Name | 3-(2,2,2-trifluoroethyl)benzaldehyde |
| InChI | InChI=1S/C9H7F3O/c10-9(11,12)5-7-2-1-3-8(4-7)6-13/h1-4,6H,5H2 |
| InChI Key | OSUXZCYXCQPRGJ-UHFFFAOYSA-N |
| MDL Number | MFCD22063116 |
| Molecular Formula | C9H7F3O |
| Molecular Weight | 188.1465 |
| SMILES | O=Cc1cccc(c1)CC(F)(F)F |
| Synonyms | 3-(2,2,2-TRIFLUOROETHYL)BENZALDEHYDE,
1368345-17-8,
SCHEMBL7141602,
MFCD22063116,
ZINC78240679,
AKOS022702925,
AB76689,
|
| Complexity | 176 |
| 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 | 3 |
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Certificate of Analysis
Lot Number