| CAS Number | 1565827-80-6 |
| Catalog Number | AG00IY09(AGN-PC-0WAT2T) |
| Chemical Name | Methyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)methoxy)benzoate |
| IUPAC Name | methyl 4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]benzoate |
| InChI | InChI=1S/C15H11ClF3NO3/c1-22-14(21)9-2-4-11(5-3-9)23-8-13-12(16)6-10(7-20-13)15(17,18)19/h2-7H,8H2,1H3 |
| InChI Key | BTBOMKOXJVGBRU-UHFFFAOYSA-N |
| MDL Number | MFCD27957299 |
| Molecular Formula | C15H11ClF3NO3 |
| Molecular Weight | 345.7009 |
| SMILES | ClC1(=C(N=CC(=C1)C(F)(F)F)COC2(=CC=C(C(=O)OC)C=C2)) |
| Synonyms | 1565827-80-6,
methyl 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy}benzoate,
Methyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)methoxy)benzoate,
KS-00001PT0,
ZINC95929093,
AKOS022168271,
PC200432,
3P-099,
Methyl 4-{[3-chloro-5-(trifluoromethyl)-pyridin-2-yl]methoxy}benzoate,
|
| Complexity | 400 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 345.702g/mol |
| Monoisotopic Mass | 345.038g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number