| CAS Number | 223671-10-1 |
| Catalog Number | AG01B8SN |
| Chemical Name | 4,7-Dibromoisoquinoline |
| IUPAC Name | 4,7-dibromoisoquinoline |
| InChI | InChI=1S/C9H5Br2N/c10-7-1-2-8-6(3-7)4-12-5-9(8)11/h1-5H |
| InChI Key | BECTWGZDTRBAKT-UHFFFAOYSA-N |
| MDL Number | MFCD13191776 |
| Molecular Formula | C9H5Br2N |
| Molecular Weight | 286.9507 |
| SMILES | C1=NC=C(C=2C=CC(=CC12)Br)Br |
| Synonyms | 4,7-dibromoisoquinoline,
223671-10-1,
Isoquinoline, 4,7-dibromo-,
4,7-Dibromo-isoquinoline,
SCHEMBL5497704,
BECTWGZDTRBAKT-UHFFFAOYSA-N,
MFCD12198690,
AKOS024160388,
ZINC137698075,
AS-53404,
Z2009850211,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.877g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.954g/mol |
| Monoisotopic Mass | 284.879g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number