| CAS Number | 953731-93-6 |
| Catalog Number | AG019NF5 |
| Chemical Name | 6-(3-bromophenoxy)pyridine-3-carboxylic acid |
| IUPAC Name | 6-(3-bromophenoxy)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C12H8BrNO3/c13-9-2-1-3-10(6-9)17-11-5-4-8(7-14-11)12(15)16/h1-7H,(H,15,16) |
| InChI Key | ZPYHFZDCAZOSBO-UHFFFAOYSA-N |
| MDL Number | MFCD09731251 |
| Molecular Formula | C12H8BrNO3 |
| Molecular Weight | 294.1008 |
| SMILES | O=C(C1=CC=C(OC2=CC=CC(Br)=C2)N=C1)O |
| Synonyms | 6-(3-bromophenoxy)pyridine-3-carboxylic acid,
6-(3-bromophenoxy)nicotinic acid,
953731-93-6,
6-(3-Bromophenoxy)-3-pyridinecarboxylic acid,
AC1Q73YU,
CTK5I8558,
ZINC22171920,
AKOS000140524,
MCULE-6028499965,
NE27647,
6-(3-bromophenoxy)nicotinic acid, AldrichCPR,
EN300-40236,
Z415636700,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.104g/mol |
| Monoisotopic Mass | 292.969g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number