| CAS Number | 338420-99-8 |
| Catalog Number | AG00IP1I(AGN-PC-0WATML) |
| Chemical Name | [3-Chloro-5-(trifluoromethyl)-2-pyridinyl](3-methoxyphenyl)methanone |
| IUPAC Name | [3-chloro-5-(trifluoromethyl)pyridin-2-yl]-(3-methoxyphenyl)methanone |
| InChI | InChI=1S/C14H9ClF3NO2/c1-21-10-4-2-3-8(5-10)13(20)12-11(15)6-9(7-19-12)14(16,17)18/h2-7H,1H3 |
| InChI Key | DKERSMNRMLLQMN-UHFFFAOYSA-N |
| MDL Number | MFCD00244670 |
| Molecular Formula | C14H9ClF3NO2 |
| Molecular Weight | 315.6750 |
| SMILES | ClC1(=C(N=CC(=C1)C(F)(F)F)C(=O)C2(=CC(OC)=CC=C2)) |
| Synonyms | [3-chloro-5-(trifluoromethyl)-2-pyridinyl](3-methoxyphenyl)methanone,
338420-99-8,
3-chloro-2-(3-methoxybenzoyl)-5-(trifluoromethyl)pyridine,
AC1LRQTS,
MLS000763786,
CHEMBL1422755,
KS-00001WFF,
HMS2658C08,
ZINC1388219,
AKOS005091530,
SMR000334131,
4H-051,
[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-(3-methoxyphenyl)methanone,
ZINC01388219,
CID1476030,
|
| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.676g/mol |
| Monoisotopic Mass | 315.027g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number