| CAS Number | 954563-46-3 |
| Catalog Number | AG019VAC |
| Chemical Name | 2-(2-Bromo-4-fluorophenoxy)pyridine-3-carboxylic acid |
| IUPAC Name | 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C12H7BrFNO3/c13-9-6-7(14)3-4-10(9)18-11-8(12(16)17)2-1-5-15-11/h1-6H,(H,16,17) |
| InChI Key | XMKITSCHUKBMNC-UHFFFAOYSA-N |
| MDL Number | MFCD09741115 |
| Molecular Formula | C12H7BrFNO3 |
| Molecular Weight | 312.0913 |
| SMILES | OC(C1=C(OC2=C(Br)C=C(F)C=C2)N=CC=C1)=O |
| Synonyms | 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid,
954563-46-3,
AC1Q72J7,
CTK7B8531,
ZINC19256859,
AKOS000150769,
MCULE-2075178191,
NE41458,
EN300-44237,
2-(2-bromo-4-fluorophenoxy)nicotinic acid, AldrichCPR,
3-Pyridinecarboxylic acid, 2-(2-bromo-4-fluorophenoxy),
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.094g/mol |
| Monoisotopic Mass | 310.959g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number