| CAS Number | 952182-72-8 |
| Catalog Number | AG00IQ0T(AGN-PC-0WAQQB) |
| Chemical Name | 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenecarbaldehyde |
| IUPAC Name | 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]benzaldehyde |
| InChI | InChI=1S/C13H7ClF3NO/c14-11-5-10(13(15,16)17)6-18-12(11)9-3-1-8(7-19)2-4-9/h1-7H |
| InChI Key | SKCGIXLICWIBOR-UHFFFAOYSA-N |
| MDL Number | MFCD09607889 |
| Molecular Formula | C13H7ClF3NO |
| Molecular Weight | 285.6490 |
| SMILES | ClC1(=C(N=CC(=C1)C(F)(F)F)C2(=CC=C(C=O)C=C2)) |
| Synonyms | 952182-72-8,
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenecarbaldehyde,
4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]benzaldehyde,
4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-benzenecarbaldehyde,
4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)benzaldehyde,
CTK7H9399,
KS-00001SIS,
ZX-AP009071,
MFCD09607889,
PC7215,
ZINC12336306,
AKOS005069614,
RP15645,
TR-062756,
chlorotrifluoromethylpyridinylbenzenecarbaldehyde,
11Z-0706,
|
| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.65g/mol |
| Monoisotopic Mass | 285.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number