| CAS Number | 468718-16-3 |
| Catalog Number | AG0039H5(AGN-PC-05FU05) |
| Chemical Name | 5-(Trifluoromethyl)-1H-indole-3-carboxaldehyde |
| IUPAC Name | 5-(trifluoromethyl)-1H-indole-3-carbaldehyde |
| InChI | InChI=1S/C10H6F3NO/c11-10(12,13)7-1-2-9-8(3-7)6(5-15)4-14-9/h1-5,14H |
| InChI Key | ABXIESRZLRQYLM-UHFFFAOYSA-N |
| MDL Number | MFCD09954785 |
| Molecular Formula | C10H6F3NO |
| Molecular Weight | 213.1559 |
| SMILES | FC(C=1C=C2C(=CNC2=CC1)C=O)(F)F |
| Synonyms | 468718-16-3,
5-(trifluoromethyl)-1h-indole-3-carbaldehyde,
5-(trifluoromethyl)-1H-Indole-3-carboxaldehyde,
SCHEMBL5402406,
ABXIESRZLRQYLM-UHFFFAOYSA-N,
KS-000002EA,
MFCD09954785,
ZINC20493918,
AKOS022669293,
5-(Trifluoromethyl)indole-3-carbaldehyde,
5-Trifluoromethyl-1H-indole-3-carbaldehyde,
DB-070761,
FT-0720173,
5-Trifluoromethyl-1H-indole-3-carboxaldehyde,
T46163,
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| 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
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Certificate of Analysis
Lot Number