| CAS Number | 13544-09-7 |
| Catalog Number | AG0039H2(AGN-PC-03GM3E) |
| Chemical Name | 6-(Trifluoromethyl)indole-3-carboxaldehyde |
| IUPAC Name | 6-(trifluoromethyl)-1H-indole-3-carbaldehyde |
| InChI | InChI=1S/C10H6F3NO/c11-10(12,13)7-1-2-8-6(5-15)4-14-9(8)3-7/h1-5,14H |
| InChI Key | BOCHZCCEJLKHMZ-UHFFFAOYSA-N |
| MDL Number | MFCD09954784 |
| Molecular Formula | C10H6F3NO |
| Molecular Weight | 213.1559 |
| SMILES | FC(C1=CC=C2C(=CNC2=C1)C=O)(F)F |
| Synonyms | 13544-09-7,
6-Trifluoromethyl-indole-3-carbaldehyde,
6-(trifluoromethyl)-1H-indole-3-carbaldehyde,
SCHEMBL2533000,
BOCHZCCEJLKHMZ-UHFFFAOYSA-N,
MFCD09954784,
ZINC26894179,
AKOS022669254,
KS-000000E1,
6-(Trifluoromethyl)indole-3-carbaldehyde,
6-(Trifluoromethyl)indole-3-carboxaldehyde,
6-Trifluoromethyl-1H-indole-3-carbaldehyde,
T13097,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.159g/mol |
| Monoisotopic Mass | 213.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number