| CAS Number | 1036712-54-5 |
| Catalog Number | AG01EL75 |
| Chemical Name | 6-Bromo-7-Chloroisoquinoline |
| IUPAC Name | 6-bromo-7-chloroisoquinoline |
| InChI | InChI=1S/C9H5BrClN/c10-8-3-6-1-2-12-5-7(6)4-9(8)11/h1-5H |
| InChI Key | MDVYTGOMIMUNHS-UHFFFAOYSA-N |
| MDL Number | MFCD11846298 |
| Molecular Formula | C9H5BrClN |
| Molecular Weight | 242.4997 |
| SMILES | ClC1=CC2=C(C=C1Br)C=CN=C2 |
| Synonyms | 6-BROMO-7-CHLOROISOQUINOLINE,
1036712-54-5,
6-Bromo-7-chloro-isoquinoline,
SCHEMBL1572086,
Isoquinoline, 6-bromo-7-chloro-,
MDVYTGOMIMUNHS-UHFFFAOYSA-N,
ZINC116553650,
SC-37427,
FT-0726233,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.929g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.5g/mol |
| Monoisotopic Mass | 240.929g/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
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Certificate of Analysis
Lot Number