| CAS Number | 1086376-15-9 |
| Catalog Number | AG010NJY(AGN-PC-0WCB9F) |
| Chemical Name | 2-(4-Bromophenoxy)-6-(trifluoromethyl)pyridine |
| IUPAC Name | 2-(4-bromophenoxy)-6-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C12H7BrF3NO/c13-8-4-6-9(7-5-8)18-11-3-1-2-10(17-11)12(14,15)16/h1-7H |
| InChI Key | NXNINSYTRHJREQ-UHFFFAOYSA-N |
| MDL Number | MFCD10703540 |
| Molecular Formula | C12H7BrF3NO |
| Molecular Weight | 318.0893 |
| SMILES | C1=C(C(F)(F)F)N=C(OC2C=CC(Br)=CC=2)C=C1 |
| Synonyms | 2-(4-Bromophenoxy)-6-(trifluoromethyl)pyridine,
1086376-15-9,
4-bromo-1-[6-(trifluoromethyl)(2-pyridyloxy)]benzene,
CTK5I7622,
ZX-RL003602,
MFCD10703540,
SBB054207,
ZINC20358029,
AKOS011049034,
AS-8630,
MCULE-2683631678,
ABA-6507251,
PC300753,
ST50949801,
|
| 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