| CAS Number | 2013582-46-0 |
| Catalog Number | AG01ELDO |
| Chemical Name | 6-Bromo-4-iodoisoquinoline |
| IUPAC Name | 6-bromo-4-iodoisoquinoline |
| InChI | InChI=1S/C9H5BrIN/c10-7-2-1-6-4-12-5-9(11)8(6)3-7/h1-5H |
| InChI Key | HUJDTCMXQLMRBM-UHFFFAOYSA-N |
| MDL Number | MFCD31665024 |
| Molecular Formula | C9H5BrIN |
| Molecular Weight | 333.9512 |
| SMILES | BrC=1C=C2C(=CN=CC2=CC1)I |
| Synonyms | 6-bromo-4-iodoisoquinoline,
SCHEMBL18105406,
2013582-46-0,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 332.865g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.954g/mol |
| Monoisotopic Mass | 332.865g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number