| CAS Number | 1005171-96-9 |
| Catalog Number | AG00H98X(AGN-PC-0WR499) |
| Chemical Name | 6-Chloro-4-(trifluoromethyl)pyridine-3-carbaldehyde |
| IUPAC Name | 6-chloro-4-(trifluoromethyl)pyridine-3-carbaldehyde |
| InChI | InChI=1S/C7H3ClF3NO/c8-6-1-5(7(9,10)11)4(3-13)2-12-6/h1-3H |
| InChI Key | PAGQSJGQXPGESR-UHFFFAOYSA-N |
| MDL Number | MFCD13189194 |
| Molecular Formula | C7H3ClF3NO |
| Molecular Weight | 209.5530 |
| SMILES | O=Cc1cnc(cc1C(F)(F)F)Cl |
| Synonyms | 6-CHLORO-4-(TRIFLUOROMETHYL)NICOTINALDEHYDE,
1005171-96-9,
SCHEMBL3783458,
ZINC95642395,
AKOS030623946,
AB67924,
CS-0088884,
6-CHLORO-4-(TRIFLUOROMETHYL)PYRIDINE-3-CARBALDEHYDE,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.552g/mol |
| Monoisotopic Mass | 208.986g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number