| CAS Number | 954267-63-1 |
| Catalog Number | AG019VAY(AGN-PC-0WCJJ7) |
| Chemical Name | 6-(4-Bromophenoxy)nicotinic acid |
| IUPAC Name | 6-(4-bromophenoxy)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C12H8BrNO3/c13-9-2-4-10(5-3-9)17-11-6-1-8(7-14-11)12(15)16/h1-7H,(H,15,16) |
| InChI Key | XMNNOJOUWGQFLL-UHFFFAOYSA-N |
| MDL Number | MFCD09736981 |
| Molecular Formula | C12H8BrNO3 |
| Molecular Weight | 294.1008 |
| SMILES | OC(C1=CN=C(OC2=CC=C(Br)C=C2)C=C1)=O |
| Synonyms | 6-(4-bromophenoxy)pyridine-3-carboxylic acid,
6-(4-Bromophenoxy)nicotinic acid,
954267-63-1,
AC1Q73YV,
CTK5I7620,
KS-00003TSG,
ZINC22217143,
AKOS000142524,
MCULE-4188807740,
NE37385,
TS-03560,
6-(4-bromophenoxy)nicotinic acid, AldrichCPR,
EN300-44277,
AB00997416-01,
|
| Complexity | 267 |
| 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