| CAS Number | 1416439-85-4 |
| Catalog Number | AG009FTL(AGN-PC-0WOZV2) |
| Chemical Name | 6-BROMO-4-CHLOROPYRROLO[1,2-B]PYRIDAZINE-3-CARBOXYLIC ACID |
| IUPAC Name | 6-bromo-4-chloropyrrolo[1,2-b]pyridazine-3-carboxylic acid |
| InChI | InChI=1S/C8H4BrClN2O2/c9-4-1-6-7(10)5(8(13)14)2-11-12(6)3-4/h1-3H,(H,13,14) |
| InChI Key | NSRLEUPCWIZYSE-UHFFFAOYSA-N |
| MDL Number | MFCD22689970 |
| Molecular Formula | C8H4BrClN2O2 |
| Molecular Weight | 275.4866 |
| SMILES | OC(=O)c1cnn2cc(Br)cc2c1Cl |
| Synonyms | 1416439-85-4,
6-BROMO-4-CHLOROPYRROLO[1,2-B]PYRIDAZINE-3-CARBOXYLIC ACID,
AKOS027330306,
6-?Bromo-?4-?chloro-pyrrolo[1,?2-?b]?pyridazine-?3-?carboxylic Acid,
NSRLEUPCWIZYSE-UHFFFAOYSA-N,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.914g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.486g/mol |
| Monoisotopic Mass | 273.914g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number