| CAS Number | 676348-34-8 |
| Catalog Number | AG00FBBN |
| Chemical Name | 2'-(Trifluoromethyl)-[1,1'-biphenyl]-2-carbaldehyde |
| IUPAC Name | 2-[2-(trifluoromethyl)phenyl]benzaldehyde |
| InChI | InChI=1S/C14H9F3O/c15-14(16,17)13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-18/h1-9H |
| InChI Key | YKVQWKAJNWLBRU-UHFFFAOYSA-N |
| MDL Number | MFCD03424641 |
| Molecular Formula | C14H9F3O |
| Molecular Weight | 250.2159 |
| SMILES | C1(=CC=CC=C1C(F)(F)F)C1=CC=CC=C1C=O |
| Synonyms | 2'-trifluoromethylbiphenyl-2-carbaldehyde,
2'-Trifluoromethyl-biphenyl-2-carbaldehyde,
676348-34-8,
2-[2-(trifluoromethyl)phenyl]benzaldehyde,
2'-(Trifluoromethyl)-[1,1'-biphenyl]-2-carbaldehyde,
AC1LRCIJ,
SCHEMBL4846671,
CTK7H9997,
2-trifluoromethylphenylbenzaldehyde,
YKVQWKAJNWLBRU-UHFFFAOYSA-N,
ZINC1257350,
AKOS012096788,
ZB016169,
2'-(trifluoromethyl)biphenyl-2-carbaldehyde,
A835806,
ZINC01257350,
CID1392725,
675596-31-3,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.22g/mol |
| Monoisotopic Mass | 250.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number