| CAS Number | 1000339-55-8 |
| Catalog Number | AG0000C7(AGN-PC-0WAOH7) |
| Chemical Name | 3-Methyl-5-(trifluoromethoxy)benzaldehyde |
| IUPAC Name | 3-methyl-5-(trifluoromethoxy)benzaldehyde |
| InChI | InChI=1S/C9H7F3O2/c1-6-2-7(5-13)4-8(3-6)14-9(10,11)12/h2-5H,1H3 |
| InChI Key | LAGVGNCAIJDRHK-UHFFFAOYSA-N |
| MDL Number | MFCD08741401 |
| Molecular Formula | C9H7F3O2 |
| Molecular Weight | 204.1459 |
| SMILES | FC(F)(F)OC1(=CC(=CC(=C1)C)C=O) |
| Synonyms | 3-Methyl-5-(trifluoromethoxy)benzaldehyde,
1000339-55-8,
MFCD08741401,
CTK7H8690,
DTXSID90650452,
KS-00003R7L,
ZX-AP002230,
PC3602,
SBB093241,
ZINC16158951,
3-Formyl-5-(trifluoromethoxy)toluene,
AKOS015956483,
FCH1324371,
PS-8139,
5-methyl-3-(trifluoromethoxy)benzaldehyde,
AJ-68602,
AK136546,
AX8258114,
Benzaldehyde, 3-methyl-5-(trifluoromethoxy)-,
|
| Complexity | 203 |
| 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 | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number