| CAS Number | 1019441-79-2 |
| Catalog Number | AG01AA9B(AGN-PC-0WCB9E) |
| Chemical Name | 2-(4-Bromophenoxy)-3-(trifluoromethyl)pyridine |
| IUPAC Name | 2-(4-bromophenoxy)-3-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C12H7BrF3NO/c13-8-3-5-9(6-4-8)18-11-10(12(14,15)16)2-1-7-17-11/h1-7H |
| InChI Key | OLGCYDJEZGMFQF-UHFFFAOYSA-N |
| MDL Number | MFCD10703539 |
| Molecular Formula | C12H7BrF3NO |
| Molecular Weight | 318.0893 |
| SMILES | FC(C1=C(OC2=CC=C(Br)C=C2)N=CC=C1)(F)F |
| Synonyms | 2-(4-bromophenoxy)-3-(trifluoromethyl)pyridine,
1019441-79-2,
4-bromo-1-[3-(trifluoromethyl)(2-pyridyloxy)]benzene,
AC1Q4IQO,
CTK5I7632,
SBB054205,
ZINC19806542,
AKOS000201963,
MCULE-8450475662,
NE14833,
ST50949799,
EN300-67529,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.093g/mol |
| Monoisotopic Mass | 316.966g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number